UCSF

ZINC12609929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 3.38 7.61 -15.62 0 6 0 71 459.515 6
Lo Low (pH 4.5-6) 3.38 7.91 -54.66 1 6 1 72 460.523 6

Activity (Go SEA)

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