UCSF

ZINC44676098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 17 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) 2.10 8.49 -116.55 4 2 2 33 232.371 7
Mid Mid (pH 6-8) 2.10 7.18 -37.66 3 2 1 29 231.363 7
Mid Mid (pH 6-8) 2.10 7.14 -35.28 3 2 1 29 231.363 7

Activity (Go SEA)

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