UCSF

ZINC20169447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 22 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) 2.38 7.96 -43.46 2 4 1 43 305.442 6
Hi High (pH 8-9.5) 2.57 3.22 -5.87 1 4 0 45 304.434 6
Hi High (pH 8-9.5) 2.38 5.72 -8.09 1 4 0 42 304.434 6

Activity (Go SEA)

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