UCSF

ZINC16451055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 23 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) 5.90 6.65 -8.88 2 4 0 65 454.143 2
Hi High (pH 8-9.5) 6.35 4.99 -89.21 0 4 -2 71 452.127 2
Hi High (pH 8-9.5) 6.35 5.68 -89.09 0 4 -2 71 452.127 2
Mid Mid (pH 6-8) 5.90 7.01 -34.69 1 4 -1 68 453.135 2
Mid Mid (pH 6-8) 5.90 7.42 -35.47 1 4 -1 68 453.135 2

Activity (Go SEA)

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