UCSF

ZINC07424368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.00 10.68 -10.53 1 3 0 38 392.446 7
Mid Mid (pH 6-8) 5.00 11.13 -33.42 2 3 1 39 393.454 7

Activity (Go SEA)

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