UCSF

ZINC44712772

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) 0.14 0.06 -37.39 1 4 -1 65 149.129 0
Mid Mid (pH 6-8) 0.14 -0.7 -8.75 2 4 0 62 150.137 0
Mid Mid (pH 6-8) 0.14 0.51 -22.1 2 4 0 66 150.137 0

Activity (Go SEA)

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