UCSF

ZINC34684079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.29 12.51 -45.4 1 5 1 31 469.653 7
Mid Mid (pH 6-8) 3.29 12.51 -49.17 1 5 1 31 469.653 7
Mid Mid (pH 6-8) 3.29 10.25 -10.05 0 5 0 30 468.645 7
Mid Mid (pH 6-8) 3.29 14.72 -94.34 2 5 2 32 470.661 7

Activity (Go SEA)

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