UCSF

ZINC13474756

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 14 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) 1.35 6.72 -28.76 1 2 1 17 189.282 2
Lo Low (pH 4.5-6) 1.35 6.99 -95.35 2 2 2 19 190.29 2

Activity (Go SEA)

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