UCSF

ZINC13563811

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

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) 1.88 8.54 -11.7 0 3 0 35 298.392 2
Lo Low (pH 4.5-6) 1.88 8.84 -50.49 1 3 1 36 299.4 2

Activity (Go SEA)

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