UCSF

ZINC09186799

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 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) 4.86 11.95 -62.66 0 8 -1 113 487.513 6
Mid Mid (pH 6-8) 4.86 12.64 -18.35 1 8 0 110 488.521 6
Mid Mid (pH 6-8) 4.28 1.84 -18.25 0 8 0 106 488.521 6

Activity (Go SEA)

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