UCSF

ZINC09244257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 4.98 12.87 -59.44 0 8 -1 113 507.588 8
Mid Mid (pH 6-8) 5.43 12.42 -24.3 1 8 0 110 508.596 7
Mid Mid (pH 6-8) 4.40 2.5 -13.46 0 8 0 106 508.596 8

Activity (Go SEA)

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