UCSF

ZINC44609568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 0.26 2.57 -35.54 2 3 1 38 201.315 5
Hi High (pH 8-9.5) 0.26 0.2 -6.71 1 3 0 36 200.307 5

Activity (Go SEA)

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