UCSF

ZINC05379554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 24 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) 3.42 6.95 -51.21 4 4 1 62 345.85 8
Hi High (pH 8-9.5) 3.42 5.53 -9.03 3 4 0 57 344.842 8

Activity (Go SEA)

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