UCSF

ZINC71289371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 18 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) 2.61 7.54 -82.06 3 3 2 24 259.482 13
Mid Mid (pH 6-8) 2.61 10.03 -165.46 4 3 3 25 260.49 13
Mid Mid (pH 6-8) 2.61 7.9 -77.93 3 3 2 24 259.482 13

Activity (Go SEA)

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