UCSF

ZINC00940588

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) 3.49 8.61 -11.61 2 9 0 103 471.315 5
Lo Low (pH 4.5-6) 3.66 8.29 -36.54 3 9 1 108 472.323 5

Activity (Go SEA)

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