UCSF

ZINC08820835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 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) 6.96 12.16 -10.37 1 5 0 64 464.974 6
Mid Mid (pH 6-8) 6.47 12 -45.43 0 5 -1 63 463.966 7

Activity (Go SEA)

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