UCSF

ZINC13479800

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 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) 2.36 8.83 -7.67 1 4 0 54 297.383 3
Mid Mid (pH 6-8) 2.36 8.06 -42.68 0 4 -1 56 296.375 4
Lo Low (pH 4.5-6) 2.36 8.69 -28.95 2 4 1 56 298.391 3
Lo Low (pH 4.5-6) 2.36 8.27 -29.44 2 4 1 56 298.391 3
Lo Low (pH 4.5-6) 2.54 8.93 -15.04 1 4 0 58 297.383 3

Activity (Go SEA)

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