UCSF

ZINC40123898

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 3.52 4.41 -55.41 2 7 -1 108 473.299 7
Hi High (pH 8-9.5) 3.52 5.33 -112.84 1 7 -2 111 472.291 7
Lo Low (pH 4.5-6) 3.52 3.65 -16.44 3 7 0 105 474.307 7

Activity (Go SEA)

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