UCSF

ZINC19397629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) -0.15 5.04 -54.76 3 7 -1 118 288.283 5
Mid Mid (pH 6-8) -0.15 5.56 -66.24 4 7 0 119 289.291 5
Mid Mid (pH 6-8) -0.15 5.59 -62.84 3 7 -1 118 288.283 5

Activity (Go SEA)

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