UCSF

ZINC38808954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 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) 1.79 5.92 -126.79 4 4 2 51 280.412 5
Hi High (pH 8-9.5) 1.79 6.19 -34.93 3 4 1 49 279.404 5
Hi High (pH 8-9.5) 1.79 4.38 -48.5 3 4 1 49 279.404 5

Activity (Go SEA)

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