UCSF

ZINC32918660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 14 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) 0.68 1.09 -8.66 4 4 0 82 191.234 1
Mid Mid (pH 6-8) 0.68 1.5 -29.02 5 4 1 83 192.242 1

Activity (Go SEA)

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