UCSF

ZINC19664017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 2.37 3.81 -44.99 3 3 1 40 278.203 6
Hi High (pH 8-9.5) 2.37 5.77 -38.04 3 3 1 40 278.203 6
Lo Low (pH 4.5-6) 2.37 5.81 -131.9 4 3 2 41 279.211 6

Activity (Go SEA)

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