UCSF

ZINC13228385

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 18 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) 5.94 11.48 -3.9 0 1 0 13 243.394 10
Lo Low (pH 4.5-6) 5.94 11.76 -30.7 1 1 1 14 244.402 10

Activity (Go SEA)

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