UCSF

ZINC23280868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.11 7.88 -37.13 2 4 1 37 341.475 6
Hi High (pH 8-9.5) 3.11 5.94 -6.53 1 4 0 36 340.467 6
Mid Mid (pH 6-8) 3.11 8.26 -40.07 2 4 1 37 341.475 6

Activity (Go SEA)

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