UCSF

ZINC45663966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.00 6.45 -81.01 3 5 2 41 286.464 8
Mid Mid (pH 6-8) 0.00 5.43 -98.73 3 5 2 45 286.464 8
Mid Mid (pH 6-8) 0.00 7.63 -175.04 4 5 3 46 287.472 8

Activity (Go SEA)

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