UCSF

ZINC37826141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.65 7.8 -88.21 3 4 2 41 269.433 5
Hi High (pH 8-9.5) 1.65 6.59 -42.76 2 4 1 37 268.425 5

Activity (Go SEA)

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