UCSF

ZINC36833085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 22 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) 2.67 1.86 -40.89 1 6 -1 94 404.287 5
Hi High (pH 8-9.5) 2.67 1.89 -42.94 1 6 -1 94 404.287 5
Hi High (pH 8-9.5) 2.67 1.93 -114.53 0 6 -2 96 403.279 5
Lo Low (pH 4.5-6) 2.67 1.84 -15.04 2 6 0 92 405.295 5

Activity (Go SEA)

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