UCSF

ZINC13582067

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.06 -0.27 -20.33 3 8 0 125 332.341 4
Hi High (pH 8-9.5) -0.16 -2.42 -53.98 2 8 -1 128 331.333 4
Hi High (pH 8-9.5) -1.06 -0.66 -42.49 2 8 -1 127 331.333 4
Hi High (pH 8-9.5) -0.19 -0.36 -66.19 2 8 1 124 331.333 4
Lo Low (pH 4.5-6) -1.06 0.01 -53.73 4 8 1 126 333.349 4

Activity (Go SEA)

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