UCSF

ZINC29636419

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 22 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) 1.51 3.79 -44.51 2 6 1 55 306.386 5
Hi High (pH 8-9.5) 1.51 1.54 -12.79 1 6 0 54 305.378 5

Activity (Go SEA)

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