UCSF

ZINC02487981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 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) 3.63 10.4 -16.39 1 5 0 63 364.424 5
Mid Mid (pH 6-8) 3.64 11.77 -33.04 3 5 1 68 365.432 5
Mid Mid (pH 6-8) 3.63 10.87 -32.14 2 5 1 65 365.432 5
Lo Low (pH 4.5-6) 3.63 10.72 -39.59 2 5 1 65 365.432 5

Activity (Go SEA)

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