UCSF

ZINC35502375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 Yes

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) 2.83 8.38 -16.93 1 7 0 71 423.561 7
Mid Mid (pH 6-8) 2.83 8.73 -40.97 2 7 1 72 424.569 7
Mid Mid (pH 6-8) 2.83 10.66 -54.2 2 7 1 72 424.569 7
Lo Low (pH 4.5-6) 2.83 11.01 -87.98 3 7 2 73 425.577 7

Activity (Go SEA)

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