UCSF

ZINC36354608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 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) 0.66 4.12 -42.72 3 7 1 90 315.353 5
Ref Reference (pH 7) 0.48 6.88 -45.34 3 7 1 87 315.353 5
Mid Mid (pH 6-8) 0.66 3.6 -14.8 2 7 0 89 314.345 5
Mid Mid (pH 6-8) 0.48 6.37 -17.75 2 7 0 85 314.345 5

Activity (Go SEA)

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