UCSF

ZINC39917187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.16 12.36 -41.13 1 4 1 26 391.583 5
Mid Mid (pH 6-8) 5.16 12.22 -37.85 1 4 1 26 391.583 5
Mid Mid (pH 6-8) 5.16 9.99 -8.8 0 4 0 24 390.575 5
Lo Low (pH 4.5-6) 5.16 13.17 -83.73 2 4 2 27 392.591 5

Activity (Go SEA)

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