UCSF

ZINC32250017

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 0.87 4.25 -29.7 5 5 1 92 216.268 2
Mid Mid (pH 6-8) 0.87 3.78 -6.52 4 5 0 91 215.26 2
Lo Low (pH 4.5-6) 0.87 4.73 -82.59 6 5 2 93 217.276 2

Activity (Go SEA)

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