UCSF

ZINC34578210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 5.92 12.88 -36.55 2 4 1 37 423.621 8
Hi High (pH 8-9.5) 5.92 10.67 -4.99 1 4 0 36 422.613 8

Activity (Go SEA)

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