UCSF

ZINC43336067

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 17 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) 1.30 5.48 -119.29 4 4 2 69 237.347 6
Mid Mid (pH 6-8) 1.30 5.18 -42.14 3 4 1 67 236.339 6
Mid Mid (pH 6-8) 1.30 4.08 -46.44 3 4 1 68 236.339 6

Activity (Go SEA)

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