UCSF

ZINC37988076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 15 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) -0.87 -0.06 -41.07 4 7 1 95 214.249 4
Hi High (pH 8-9.5) -0.41 -3.99 -36.83 2 7 -1 97 212.233 4
Mid Mid (pH 6-8) -0.41 -1.74 -49.66 3 7 0 98 213.241 4

Activity (Go SEA)

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