UCSF

ZINC05719745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 22 Yes

Other Names:

MFCD01814908

Download: MOL2 SDF SMILES Flexibase

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) 4.12 10.6 -52.66 1 2 1 22 302.344 3
Mid Mid (pH 6-8) 4.12 8.05 -8.54 0 2 0 20 301.336 3

Activity (Go SEA)

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