UCSF

ZINC33121109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 35 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) 3.33 8.66 -53.39 3 7 1 86 497.685 5
Hi High (pH 8-9.5) 3.33 7.25 -14.75 2 7 0 82 496.677 5

Activity (Go SEA)

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