UCSF

ZINC19837325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 1.60 2.03 -15.12 2 4 0 59 195.218 3
Hi High (pH 8-9.5) 1.60 2.99 -61.3 1 4 -1 61 194.21 3

Activity (Go SEA)

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