UCSF

ZINC32089707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 17 No

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) 1.87 7.93 -49.09 1 3 1 31 234.319 5
Mid Mid (pH 6-8) 1.87 5.66 -7.17 0 3 0 30 233.311 5

Activity (Go SEA)

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