UCSF

ZINC13285591

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.96 9.98 -44.7 2 6 1 69 367.473 9
Hi High (pH 8-9.5) 2.96 7.77 -12.03 1 6 0 67 366.465 9
Lo Low (pH 4.5-6) 2.96 10.54 -164.51 4 6 3 71 369.489 9

Activity (Go SEA)

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