UCSF

ZINC30908729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 18 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) 0.09 5.5 -48.45 2 4 1 47 243.334 3
Hi High (pH 8-9.5) 0.09 4.23 -9.56 1 4 0 43 242.326 3

Activity (Go SEA)

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