UCSF

ZINC09714790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 28 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) 3.76 -4.81 -19.73 2 6 0 88 417.487 5
Hi High (pH 8-9.5) 3.76 -4.23 -50.51 1 6 -1 90 416.479 5

Activity (Go SEA)

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