UCSF

ZINC37126778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 0.41 5.48 -37.65 2 5 1 55 279.408 5
Hi High (pH 8-9.5) 0.41 4.95 -11.15 1 5 0 50 278.4 5
Lo Low (pH 4.5-6) 0.41 5.64 -97.84 3 5 2 56 280.416 5

Activity (Go SEA)

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