UCSF

ZINC48695365

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.67 5.11 -47.35 2 4 1 57 212.317 5
Mid Mid (pH 6-8) 1.67 3.13 -8.67 1 4 0 56 211.309 5

Activity (Go SEA)

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