UCSF

ZINC37140547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.49 6.11 -116.55 5 4 2 64 311.857 6
Hi High (pH 8-9.5) 1.49 3 -8.96 3 4 0 58 309.841 6
Hi High (pH 8-9.5) 1.49 5.2 -41.7 4 4 1 60 310.849 6
Hi High (pH 8-9.5) 1.49 3.92 -46.24 4 4 1 63 310.849 6

Activity (Go SEA)

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