UCSF

ZINC44609570

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) 0.36 2.39 -33.13 2 3 1 38 201.315 4
Hi High (pH 8-9.5) 0.36 -0.02 -7.71 1 3 0 36 200.307 4

Activity (Go SEA)

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