UCSF

ZINC22788386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) -0.15 4.02 -38.13 1 7 1 62 350.468 4
Mid Mid (pH 6-8) -0.15 3.62 -15.22 0 7 0 61 349.46 4
Mid Mid (pH 6-8) -0.15 6.36 -112.11 2 7 2 64 351.476 4
Mid Mid (pH 6-8) -0.15 5.82 -44.21 1 7 1 62 350.468 4
Mid Mid (pH 6-8) -0.15 6.22 -91.98 2 7 2 64 351.476 4

Activity (Go SEA)

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