UCSF

ZINC42781494

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.41 7.07 -37.49 1 5 0 67 238.287 6
Mid Mid (pH 6-8) 1.41 6.76 -47.7 0 5 -1 65 237.279 6

Activity (Go SEA)

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