UCSF

ZINC52283219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 21 No

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) 2.14 6.86 -36.98 2 5 1 54 310.443 6
Hi High (pH 8-9.5) 2.14 4.57 -8.88 1 5 0 53 309.435 6

Activity (Go SEA)

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