UCSF

ZINC37801233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.35 2.58 -39.95 5 5 1 91 324.451 7
Hi High (pH 8-9.5) 1.35 2.25 -11.04 4 5 0 89 323.443 7

Activity (Go SEA)

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