UCSF

ZINC13284357

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 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) 6.83 13.88 -11.19 0 1 0 13 319.407 1
Lo Low (pH 4.5-6) 6.83 14.07 -24.21 1 1 1 14 320.415 1

Activity (Go SEA)

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