UCSF

ZINC19838497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.78 4.19 -18.33 2 5 0 68 287.315 4
Hi High (pH 8-9.5) 3.78 5.22 -63.65 1 5 -1 71 286.307 4

Activity (Go SEA)

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