UCSF

ZINC19910602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.23 0.88 -13.5 3 5 0 71 289.331 5
Hi High (pH 8-9.5) 3.23 1.66 -50.02 2 5 -1 74 288.323 5

Activity (Go SEA)

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