UCSF

ZINC37233719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.24 5.45 -118.52 5 5 2 67 284.448 5
Hi High (pH 8-9.5) 1.24 3.21 -50.29 4 5 1 66 283.44 5
Hi High (pH 8-9.5) 1.24 4.25 -42.07 4 5 1 63 283.44 5

Activity (Go SEA)

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