UCSF

ZINC36096580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 2.36 6.02 -38.68 2 4 1 43 316.487 12
Hi High (pH 8-9.5) 2.36 3.87 -6.58 1 4 0 42 315.479 12

Activity (Go SEA)

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