UCSF

ZINC53113744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.36 2.74 -38.09 4 4 1 66 252.382 4
Hi High (pH 8-9.5) 1.36 1.54 -7.06 3 4 0 61 251.374 4

Activity (Go SEA)

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