UCSF

ZINC37820419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.94 -4.03 -58.61 6 7 1 120 265.359 5
Hi High (pH 8-9.5) -1.94 -4.4 -79.49 5 7 0 122 264.351 5

Activity (Go SEA)

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