UCSF

ZINC69382587

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 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) 5.15 8.9 -30.84 2 2 1 29 295.516 7
Hi High (pH 8-9.5) 5.15 8.53 -2.94 1 2 0 25 294.508 7

Activity (Go SEA)

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