UCSF

ZINC34610969

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 0.70 7.73 -30.77 0 8 0 80 401.492 4
Lo Low (pH 4.5-6) 0.70 8.18 -47.11 1 8 1 82 402.5 4

Activity (Go SEA)

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