UCSF

ZINC22464960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 2.98 6.93 -46.01 2 5 1 46 357.865 4
Hi High (pH 8-9.5) 2.98 5.53 -10 1 5 0 42 356.857 4
Lo Low (pH 4.5-6) 2.98 7.35 -83.51 3 5 2 48 358.873 4

Activity (Go SEA)

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