UCSF

ZINC51091344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 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) 0.67 1.19 -35.12 3 4 1 48 287.33 5
Mid Mid (pH 6-8) 0.67 1.12 -40.34 3 4 1 48 287.33 5
Mid Mid (pH 6-8) 0.67 -1.15 -7.55 2 4 0 47 286.322 5

Activity (Go SEA)

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