UCSF

ZINC32622085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 33 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) 4.44 10.65 -10.49 0 6 0 63 466.965 5
Mid Mid (pH 6-8) 4.44 12.98 -46.15 1 6 1 64 467.973 5

Activity (Go SEA)

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