UCSF

ZINC00524394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 3.50 7.08 -5.72 0 2 0 22 211.264 3
Lo Low (pH 4.5-6) 3.50 6.72 -33.06 1 2 1 23 212.272 3
Lo Low (pH 4.5-6) 3.50 7.43 -30.76 1 2 1 23 212.272 3

Activity (Go SEA)

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