UCSF

ZINC46438182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 24 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) 1.72 6.21 -66.84 3 7 1 83 350.468 3
Mid Mid (pH 6-8) 1.72 4.18 -16.45 2 7 0 81 349.46 3
Mid Mid (pH 6-8) 1.72 6.37 -62.42 3 7 1 83 350.468 3

Activity (Go SEA)

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