UCSF

ZINC07991022

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 16 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) 1.38 5.04 -14.57 1 4 0 55 221.256 5
Mid Mid (pH 6-8) 1.45 3.77 -35.13 2 4 1 61 222.264 5

Activity (Go SEA)

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