UCSF

ZINC22465196

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 22 Yes

Other Names:

MFCD08457143

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) 2.31 7.12 -46.19 2 4 1 37 293.394 3
Hi High (pH 8-9.5) 2.31 5.71 -10.56 1 4 0 33 292.386 3
Mid Mid (pH 6-8) 2.31 7.54 -81.03 3 4 2 38 294.402 3

Activity (Go SEA)

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