UCSF

ZINC02703958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 1.69 -1.27 -15.97 1 7 0 92 378.384 6
Mid Mid (pH 6-8) 1.11 -1.45 -23.13 0 7 0 89 378.384 6
Lo Low (pH 4.5-6) 2.14 -1.54 -67.79 2 7 1 94 379.392 5
Lo Low (pH 4.5-6) 1.11 -1.33 -54.62 1 7 1 90 379.392 6

Activity (Go SEA)

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