UCSF

ZINC41197939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 3.64 7.79 -33.82 2 3 1 39 303.451 5
Hi High (pH 8-9.5) 3.64 6.85 -7.6 1 3 0 34 302.443 5

Activity (Go SEA)

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