UCSF

ZINC19842354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) 4.71 11.65 -31.23 1 2 1 8 374.346 5
Mid Mid (pH 6-8) 4.71 11.79 -36.04 1 2 1 8 374.346 5
Mid Mid (pH 6-8) 4.71 9.47 -3.18 0 2 0 6 373.338 5

Activity (Go SEA)

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