UCSF

ZINC34670608

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 3.70 7.82 -6.28 0 3 0 22 297.398 5
Lo Low (pH 4.5-6) 3.70 10.08 -42.38 1 3 1 23 298.406 5

Activity (Go SEA)

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