UCSF

ZINC05729691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 5.18 -17.32 3 7 0 103 410.231 3
Ref Reference (pH 7) 3.44 5.31 -11.5 3 7 0 103 410.231 3
Hi High (pH 8-9.5) 3.89 3.22 -57.42 2 7 -1 106 409.223 3
Hi High (pH 8-9.5) 3.89 3.29 -53.85 2 7 -1 106 409.223 3
Hi High (pH 8-9.5) 3.89 3.55 -42.17 2 7 -1 106 409.223 3
Hi High (pH 8-9.5) 3.89 3.49 -49.98 2 7 -1 106 409.223 3
Mid Mid (pH 6-8) 3.26 5.31 -36.66 4 7 1 101 411.239 4
Mid Mid (pH 6-8) 3.44 5.11 -18.01 3 7 0 103 410.231 3
Mid Mid (pH 6-8) 3.44 5.23 -14.29 3 7 0 103 410.231 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )