UCSF

ZINC44648199

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.38 6.11 -48.76 3 4 1 69 286.277 6
Hi High (pH 8-9.5) 2.38 4.75 -7.26 2 4 0 65 285.269 6

Activity (Go SEA)

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