UCSF

ZINC00412135

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 4.54 10.03 -24.37 2 3 1 31 280.395 3
Mid Mid (pH 6-8) 4.54 9.64 -11.43 1 3 0 29 279.387 3

Activity (Go SEA)

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