UCSF

ZINC05930129

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 0.00 10.29 -94.19 1 7 0 79 375.4 3
Hi High (pH 8-9.5) 0.00 7.89 -62.98 0 7 -1 78 374.392 3
Mid Mid (pH 6-8) 0.00 8.27 -51.67 2 7 1 76 376.408 3
Lo Low (pH 4.5-6) -2.75 8.42 -76.57 2 7 1 82 376.408 2

Activity (Go SEA)

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