UCSF

ZINC19839904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 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) 2.68 8.57 -43.57 3 6 1 72 396.511 9
Hi High (pH 8-9.5) 2.68 7.72 -64.78 3 6 1 75 396.511 9
Hi High (pH 8-9.5) 2.68 6.44 -14.52 2 6 0 71 395.503 9

Activity (Go SEA)

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