UCSF

ZINC39043031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 18 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) 0.81 2.6 -47.67 3 5 1 64 251.306 5
Hi High (pH 8-9.5) 0.81 1.24 -7.42 2 5 0 60 250.298 5

Activity (Go SEA)

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