UCSF

ZINC32873785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 1.90 4.52 -5.71 0 3 0 24 212.337 3
Mid Mid (pH 6-8) 1.90 6.84 -41.21 1 3 1 25 213.345 3

Activity (Go SEA)

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