UCSF

ZINC05161641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 25 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) -0.68 8.67 -93.5 2 6 0 82 355.316 4
Hi High (pH 8-9.5) -0.68 7.37 -56 1 6 -1 77 354.308 4
Mid Mid (pH 6-8) -0.68 6.67 -54.56 3 6 1 79 356.324 4

Activity (Go SEA)

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