UCSF

ZINC45664259

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 0.60 3.61 -86.32 4 3 2 35 203.374 9
Mid Mid (pH 6-8) 0.60 3.27 -95.46 4 3 2 35 203.374 9
Mid Mid (pH 6-8) 0.60 5.73 -180.62 5 3 3 37 204.382 9

Activity (Go SEA)

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