UCSF

ZINC48433684

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 15 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 4.33 -38.02 3 3 1 46 205.281 4
Mid Mid (pH 6-8) 1.15 3.12 -8.47 2 3 0 41 204.273 4

Activity (Go SEA)

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