UCSF

ZINC32201476

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) 0.52 -0.16 -42.52 1 4 -1 69 161.14 0
Lo Low (pH 4.5-6) 0.52 0.31 -51.54 2 4 0 70 162.148 0

Activity (Go SEA)

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