UCSF

ZINC32167021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 0.59 4.7 -31.34 1 3 1 31 144.194 2
Mid Mid (pH 6-8) 0.59 2.56 -6.31 0 3 0 30 143.186 2

Activity (Go SEA)

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