UCSF

ZINC19681365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 2.10 5.33 -52.46 3 4 1 59 278.332 2
Mid Mid (pH 6-8) 2.17 4.16 -60.9 2 4 0 65 277.324 2
Mid Mid (pH 6-8) 2.10 3.65 -10.16 2 4 0 54 277.324 2

Activity (Go SEA)

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