UCSF

ZINC40459171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 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) 2.38 2.71 -7.98 1 5 0 51 309.406 7
Mid Mid (pH 6-8) 2.38 5.01 -42.74 2 5 1 52 310.414 7

Activity (Go SEA)

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