UCSF

ZINC19473043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) 0.92 4.3 -41.06 4 5 1 66 295.382 5
Mid Mid (pH 6-8) 0.92 4.34 -41.03 4 5 1 66 295.382 5
Mid Mid (pH 6-8) 0.92 1.99 -7.98 3 5 0 65 294.374 5

Activity (Go SEA)

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