UCSF

ZINC25357005

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 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) 4.11 11.44 -47.42 2 2 1 26 316.424 4
Hi High (pH 8-9.5) 4.11 10.22 -6.44 1 2 0 21 315.416 4

Activity (Go SEA)

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