UCSF

ZINC19900126

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) 3.91 9.66 -33.22 1 2 1 8 287.471 3
Hi High (pH 8-9.5) 3.91 7.38 -1.77 0 2 0 6 286.463 3
Hi High (pH 8-9.5) 3.91 9.65 -36.25 1 2 1 8 287.471 3

Activity (Go SEA)

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