UCSF

ZINC32143399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.92 6.61 -2.51 0 1 0 3 149.237 3
Lo Low (pH 4.5-6) 2.92 7.04 -16.96 1 1 0 4 150.245 3

Activity (Go SEA)

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