UCSF

ZINC08818292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 3.49 9.58 -56.33 0 5 -1 73 466.286 5
Mid Mid (pH 6-8) 3.49 9.32 -11.86 1 5 0 71 467.294 5
Mid Mid (pH 6-8) 2.91 9.69 -14.4 0 5 0 67 467.294 5
Lo Low (pH 4.5-6) 2.91 9.98 -39.46 1 5 1 69 468.302 5
Lo Low (pH 4.5-6) 3.49 9.62 -36.65 2 5 1 72 468.302 5

Activity (Go SEA)

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