UCSF

ZINC13727982

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.84 5.87 -10.87 0 6 0 68 371.396 3
Lo Low (pH 4.5-6) 1.84 9.06 -132.02 2 6 2 71 373.412 3
Lo Low (pH 4.5-6) 1.84 9.06 -102.4 2 6 2 71 373.412 3
Lo Low (pH 4.5-6) 1.84 9.34 -197.14 3 6 3 72 374.42 3
Lo Low (pH 4.5-6) 1.84 6.22 -47.72 1 6 1 70 372.404 3

Activity (Go SEA)

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