UCSF

ZINC19687612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) 0.20 1.24 -44.49 3 4 1 51 214.333 4
Hi High (pH 8-9.5) 0.20 0.9 -8.49 2 4 0 50 213.325 4
Mid Mid (pH 6-8) 0.20 3.56 -100.25 4 4 2 52 215.341 4

Activity (Go SEA)

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