UCSF

ZINC41229051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 2.16 8.34 -30.8 1 3 1 28 217.292 4
Mid Mid (pH 6-8) 2.16 7.87 -7.51 0 3 0 27 216.284 4

Activity (Go SEA)

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