UCSF

ZINC34940126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.78 5.76 -47.48 3 3 1 46 317.247 5
Hi High (pH 8-9.5) 1.78 5.52 -5.21 2 3 0 44 316.239 5

Activity (Go SEA)

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