UCSF

ZINC42781642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.81 5.18 -3.45 1 2 0 15 272.314 5
Mid Mid (pH 6-8) 2.81 7.13 -39.14 2 2 1 16 273.322 5
Mid Mid (pH 6-8) 2.81 7.02 -36.3 2 2 1 20 273.322 5

Activity (Go SEA)

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