UCSF

ZINC19997560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 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) 0.65 1.62 -46.06 1 8 -1 100 343.363 5
Mid Mid (pH 6-8) 0.19 4.25 -8.22 2 8 0 96 344.371 5

Activity (Go SEA)

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