UCSF

ZINC00524175

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 No

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) 5.02 8.29 -8.54 0 4 0 43 344.414 6
Lo Low (pH 4.5-6) 5.02 8.5 -30.63 1 4 1 45 345.422 6
Lo Low (pH 4.5-6) 5.02 10.18 -30.95 1 4 1 45 345.422 6

Activity (Go SEA)

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