UCSF

ZINC20653091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 18 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) 1.67 6.16 -40.18 1 4 1 41 246.334 4
Mid Mid (pH 6-8) 1.67 6.08 -43.04 1 4 1 41 246.334 4
Mid Mid (pH 6-8) 1.67 3.69 -6.64 0 4 0 40 245.326 4

Activity (Go SEA)

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