UCSF

ZINC00697254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 2.89 10.16 -57.95 3 8 1 96 507.08 11
Hi High (pH 8-9.5) 2.89 7.63 -22.77 2 8 0 95 506.072 11

Activity (Go SEA)

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