UCSF

ZINC32123917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 1.00 6.17 -37.68 2 5 1 59 248.306 4
Hi High (pH 8-9.5) 1.45 5.05 -45.8 1 5 0 62 247.298 4

Activity (Go SEA)

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