UCSF

ZINC13209191

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 26 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) 3.27 8.83 -14.76 0 6 0 75 349.342 4
Lo Low (pH 4.5-6) 3.27 9.11 -49.54 1 6 1 76 350.35 4

Activity (Go SEA)

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