UCSF

ZINC19802884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 14 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) 1.76 3.56 -42.67 3 2 1 31 197.346 1
Mid Mid (pH 6-8) 1.76 5.09 -30.91 3 2 1 30 197.346 1
Mid Mid (pH 6-8) 1.76 5.4 -105.46 4 2 2 32 198.354 1

Activity (Go SEA)

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