UCSF

ZINC00886471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 24 Yes

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) 4.04 -0.72 -12.18 1 4 0 46 357.866 5
Mid Mid (pH 6-8) 4.04 -0.48 -41.43 2 4 1 48 358.874 5

Activity (Go SEA)

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