UCSF

ZINC34683360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 5.31 12.85 -40.94 2 5 1 54 445.583 6
Hi High (pH 8-9.5) 5.31 13.74 -42.33 1 5 0 57 444.575 6

Activity (Go SEA)

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