UCSF

ZINC19390828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.32 4.89 -48.64 3 4 1 55 266.361 6
Hi High (pH 8-9.5) 1.32 4.54 -5.2 2 4 0 54 265.353 6

Activity (Go SEA)

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