UCSF

ZINC67895447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 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) 1.50 8.6 -81.98 1 5 0 61 303.406 1
Mid Mid (pH 6-8) 1.50 7.59 -48.4 2 5 1 58 304.414 1
Mid Mid (pH 6-8) 1.50 6.34 -63.37 2 5 1 62 304.414 1

Activity (Go SEA)

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