UCSF

ZINC13948119

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 21 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) 4.83 7.87 -8.36 1 3 0 46 303.427 5
Hi High (pH 8-9.5) 4.83 7.94 -44.97 0 3 -1 48 302.419 5

Activity (Go SEA)

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