UCSF

ZINC00433064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 4.03 1.7 -8.65 0 2 0 17 242.709 1
Mid Mid (pH 6-8) 0.29 1.94 -27.99 1 2 1 19 243.717 1

Activity (Go SEA)

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