UCSF

ZINC46503064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 18 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) 2.35 7.63 -41.28 2 3 1 34 249.378 6
Mid Mid (pH 6-8) 2.35 5.53 -8.29 1 3 0 32 248.37 6

Activity (Go SEA)

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