UCSF

ZINC43419646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.15 8.5 -46.2 1 3 1 41 218.324 6
Mid Mid (pH 6-8) 1.15 6.32 -37.15 1 3 1 41 218.324 6
Mid Mid (pH 6-8) 1.15 6.04 -7.46 0 3 0 40 217.316 6

Activity (Go SEA)

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