UCSF

ZINC22926575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 Yes

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) 1.75 3.75 -37.45 2 3 1 33 209.313 3
Mid Mid (pH 6-8) 1.75 4.76 -32.47 2 3 1 30 209.313 3
Mid Mid (pH 6-8) 1.75 6.04 -113.71 3 3 2 34 210.321 3

Activity (Go SEA)

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