UCSF

ZINC32192449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 12 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) 2.11 7.22 -5.8 0 2 0 28 156.188 0
Lo Low (pH 4.5-6) -1.64 6.78 -33.26 0 2 1 28 157.196 0

Activity (Go SEA)

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