UCSF

ZINC19802058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 No

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) 0.80 3.9 -41.4 4 5 1 66 277.392 5
Mid Mid (pH 6-8) 0.80 3.91 -40.54 4 5 1 66 277.392 5
Mid Mid (pH 6-8) 0.80 1.52 -9.19 3 5 0 65 276.384 5

Activity (Go SEA)

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