UCSF

ZINC20306111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 4.47 7.79 -35.66 2 2 1 20 255.47 8
Lo Low (pH 4.5-6) 4.47 10.07 -101.72 3 2 2 21 256.478 8

Activity (Go SEA)

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