UCSF

ZINC00928299

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 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) 4.71 -1.34 -13.17 1 5 0 60 416.502 4
Lo Low (pH 4.5-6) 4.71 -1.19 -37.66 2 5 1 61 417.51 4

Activity (Go SEA)

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