UCSF

ZINC70514688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.29 3.32 -25.87 3 4 1 49 287.468 11
Mid Mid (pH 6-8) 2.29 4.96 -88.79 4 4 2 51 288.476 11
Mid Mid (pH 6-8) 2.29 3.77 -27.52 3 4 1 46 287.468 11

Activity (Go SEA)

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