UCSF

ZINC36798232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 0.36 0.81 -35.63 4 5 1 63 266.365 6
Mid Mid (pH 6-8) 0.36 -1.44 -6.89 3 5 0 62 265.357 6
Mid Mid (pH 6-8) 0.36 0.9 -33.37 4 5 1 63 266.365 6

Activity (Go SEA)

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