UCSF

ZINC32007916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -0.20 0.24 -8.47 1 4 0 44 186.255 2
Mid Mid (pH 6-8) -0.20 2.1 -42.5 2 4 1 45 187.263 2

Activity (Go SEA)

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