UCSF

ZINC32666052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 26 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) 3.84 8.42 -16.39 2 5 0 70 346.386 3
Hi High (pH 8-9.5) 3.84 9.32 -65.5 1 5 -1 72 345.378 3

Activity (Go SEA)

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