UCSF

ZINC02459092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 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) 3.89 -0.94 -13.7 2 6 0 87 429.9 7
Mid Mid (pH 6-8) 3.31 -1.02 -21.64 1 6 0 83 429.9 7

Activity (Go SEA)

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