UCSF

ZINC32914757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.70 4.34 -33.69 2 2 1 29 163.244 1
Lo Low (pH 4.5-6) 1.70 3.36 -29.25 2 2 1 26 163.244 1

Activity (Go SEA)

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