UCSF

ZINC39982047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 1.46 3.95 -50.82 3 5 1 68 266.346 6
Mid Mid (pH 6-8) 1.28 2.51 -43.38 2 5 0 74 265.338 6
Mid Mid (pH 6-8) 1.46 2.61 -16.15 2 5 0 63 265.338 6

Activity (Go SEA)

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