UCSF

ZINC05930132

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) -0.25 8.2 -98.66 2 7 0 91 361.373 3
Hi High (pH 8-9.5) -0.25 6.93 -62.9 1 7 -1 87 360.365 3
Mid Mid (pH 6-8) -0.25 6.17 -55.91 3 7 1 88 362.381 3
Lo Low (pH 4.5-6) -2.99 6.33 -81.17 3 7 1 94 362.381 2

Activity (Go SEA)

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