UCSF

ZINC08820812

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) 7.40 11.78 -10.68 1 5 0 64 464.974 7
Mid Mid (pH 6-8) 6.91 11.6 -43.19 0 5 -1 63 463.966 8

Activity (Go SEA)

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