UCSF

ZINC40504212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 4.33 8.21 -37.08 2 2 1 29 275.441 5
Hi High (pH 8-9.5) 4.33 7.11 -4.31 1 2 0 25 274.433 5

Activity (Go SEA)

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