UCSF

ZINC37777219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.86 9.65 -30.75 2 2 1 16 275.46 4
Mid Mid (pH 6-8) 3.86 8.5 -35.14 2 2 1 20 275.46 4
Mid Mid (pH 6-8) 3.86 10.44 -96.36 3 2 2 21 276.468 4

Activity (Go SEA)

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