UCSF

ZINC32005914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) 0.37 -0.03 -3.98 1 3 0 33 159.229 2
Mid Mid (pH 6-8) 0.37 1.75 -36.52 2 3 1 34 160.237 2

Activity (Go SEA)

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