UCSF

ZINC05965378

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 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) 2.59 3.71 -10.27 3 7 0 110 373.416 5
Ref Reference (pH 7) 2.59 4.38 -10.55 3 7 0 110 373.416 5
Lo Low (pH 4.5-6) 2.59 4.64 -36.35 4 7 1 111 374.424 5
Lo Low (pH 4.5-6) 2.59 4.64 -57.23 4 7 1 111 374.424 5

Activity (Go SEA)

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