UCSF

ZINC28017301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 34 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) 2.26 12.67 -102.92 1 7 0 83 464.472 4
Mid Mid (pH 6-8) 2.26 10.29 -61.66 0 7 -1 82 463.464 4
Lo Low (pH 4.5-6) -1.33 11.57 -97.77 2 7 1 86 465.48 3

Activity (Go SEA)

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