UCSF

ZINC08837516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 2.71 7.58 -52.26 1 9 -1 115 514.986 9
Mid Mid (pH 6-8) 2.13 -0.78 -51.62 2 9 1 110 517.002 9
Mid Mid (pH 6-8) 2.71 9.84 -73.17 2 9 0 116 515.994 9
Lo Low (pH 4.5-6) 2.71 9.07 -60.45 3 9 1 113 517.002 9

Activity (Go SEA)

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