UCSF

ZINC34559352

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.41 11.09 -69.93 1 4 0 54 299.37 7
Hi High (pH 8-9.5) 3.41 8.62 -51.21 0 4 -1 53 298.362 7

Activity (Go SEA)

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