UCSF

ZINC70621526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 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) -0.20 -1.38 -46.6 4 4 1 60 217.333 8
Mid Mid (pH 6-8) -0.20 0.3 -31.12 4 4 1 60 217.333 8
Mid Mid (pH 6-8) -0.20 0.73 -117.52 5 4 2 62 218.341 8

Activity (Go SEA)

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