UCSF

ZINC69968258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 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) 1.43 5.99 -38.87 2 5 1 51 265.381 5
Hi High (pH 8-9.5) 1.43 4.04 -12.59 1 5 0 50 264.373 5

Activity (Go SEA)

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