UCSF

ZINC09057738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 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) 5.29 12.65 -43.64 0 7 -1 92 497.552 8
Mid Mid (pH 6-8) 4.71 12.21 -17.31 0 7 0 86 498.56 8
Mid Mid (pH 6-8) 5.74 11.23 -24.98 1 7 0 89 498.56 7

Activity (Go SEA)

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