UCSF

ZINC20865928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 19 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) 1.91 8.87 -78.82 2 4 2 26 260.385 2
Hi High (pH 8-9.5) 1.91 6.43 -8.62 0 4 0 24 258.369 2
Mid Mid (pH 6-8) 1.91 8.49 -34.31 1 4 1 25 259.377 2

Activity (Go SEA)

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