UCSF

ZINC36354606

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 2.71 -44.84 3 7 1 90 315.353 5
Ref Reference (pH 7) 0.48 5.35 -46.76 3 7 1 87 315.353 5
Mid Mid (pH 6-8) 0.66 2.19 -16.08 2 7 0 89 314.345 5
Mid Mid (pH 6-8) 0.48 4.83 -17.13 2 7 0 85 314.345 5

Activity (Go SEA)

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