UCSF

ZINC41681259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.67 6.13 -80.89 4 4 2 50 271.449 7
Hi High (pH 8-9.5) 1.67 4.95 -38.31 3 4 1 46 270.441 7

Activity (Go SEA)

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