UCSF

ZINC09086224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 No

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) 4.08 8.4 -56.52 0 6 -1 79 449.31 8
Mid Mid (pH 6-8) 3.50 8.31 -27.72 0 6 0 73 450.318 8
Mid Mid (pH 6-8) 4.53 7.32 -31.82 1 6 0 76 450.318 7

Activity (Go SEA)

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