UCSF

ZINC34610440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 1.34 4.9 -12.33 2 7 0 93 280.328 7
Hi High (pH 8-9.5) 0.85 3.57 -38.13 1 7 -1 96 279.32 7

Activity (Go SEA)

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