UCSF

ZINC57508567

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 3.19 6.16 -14.77 2 2 0 25 222.352 5
Mid Mid (pH 6-8) 3.19 6.3 -3.45 1 2 0 23 221.344 5

Activity (Go SEA)

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