UCSF

ZINC36206338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 3.99 9.37 -53.62 3 7 1 89 474.647 12
Hi High (pH 8-9.5) 4.45 6.93 -40.84 2 7 0 92 473.639 12

Activity (Go SEA)

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