UCSF

ZINC42717219

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.49 7.04 -59.6 1 5 0 62 245.71 6
Mid Mid (pH 6-8) 0.49 4.71 -48.48 0 5 -1 61 244.702 6

Activity (Go SEA)

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