UCSF

ZINC36680795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) 1.87 5.6 -40.68 2 2 1 40 169.292 5
Hi High (pH 8-9.5) 1.87 4.8 -4.96 1 2 0 36 168.284 5

Activity (Go SEA)

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