UCSF

ZINC61654646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 1.59 6.08 -80.92 3 3 2 24 229.412 8
Mid Mid (pH 6-8) 1.59 8.25 -171.27 4 3 3 25 230.42 8
Mid Mid (pH 6-8) 1.59 6.45 -80.13 3 3 2 24 229.412 8

Activity (Go SEA)

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