UCSF

ZINC38000821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.23 2.88 -36.69 4 4 1 60 301.208 6
Hi High (pH 8-9.5) 1.23 0.4 -5.84 3 4 0 58 300.2 6

Activity (Go SEA)

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