UCSF

ZINC00695355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 5.79 17.1 -48.81 2 4 1 38 484.639 9
Hi High (pH 8-9.5) 5.79 14.82 -15.07 1 4 0 37 483.631 9

Activity (Go SEA)

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