UCSF

ZINC32932836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 25 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) 0.38 4.68 -20.19 0 6 0 53 349.406 4
Mid Mid (pH 6-8) 0.38 6.93 -61.98 1 6 1 54 350.414 4

Activity (Go SEA)

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