UCSF

ZINC32111217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 17 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) 1.45 2.32 -40.39 3 4 1 55 260.741 8
Hi High (pH 8-9.5) 1.45 0.9 -5.35 2 4 0 51 259.733 8

Activity (Go SEA)

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