UCSF

ZINC22778594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 17 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) 0.84 3.66 -41.13 2 5 1 50 255.367 4
Hi High (pH 8-9.5) 0.84 1.49 -15.07 1 5 0 48 254.359 4
Mid Mid (pH 6-8) 0.65 2.64 -30.58 1 5 0 56 254.359 4
Mid Mid (pH 6-8) 1.40 3.05 -31.05 2 5 1 53 255.367 3

Activity (Go SEA)

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