UCSF

ZINC24926840

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 30 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) 3.08 9.01 -98.35 4 6 2 67 420.642 12
Hi High (pH 8-9.5) 3.08 6.95 -54.33 3 6 1 66 419.634 12
Hi High (pH 8-9.5) 3.08 4.92 -18.99 2 6 0 65 418.626 12

Activity (Go SEA)

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