UCSF

ZINC32011695

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 1.86 4 -37.92 2 3 1 35 208.281 2
Hi High (pH 8-9.5) 1.86 2.66 -5.16 1 3 0 30 207.273 2

Activity (Go SEA)

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