UCSF

ZINC58282441

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 2.39 9.75 -36.71 1 5 1 51 325.436 5
Hi High (pH 8-9.5) 2.39 7.61 -9.06 0 5 0 49 324.428 5

Activity (Go SEA)

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