UCSF

ZINC34653541

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 2.94 4.34 -52.17 4 4 1 68 271.34 3
Hi High (pH 8-9.5) 2.94 5.29 -83.84 3 4 0 71 270.332 3

Activity (Go SEA)

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