UCSF

ZINC06739623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 2.47 7.24 -66.5 1 7 -1 103 407.427 5
Mid Mid (pH 6-8) 2.92 5.33 -33.89 2 7 0 100 408.435 4
Mid Mid (pH 6-8) 1.89 6.31 -24.12 1 7 0 97 408.435 5

Activity (Go SEA)

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