UCSF

ZINC20225995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.15 0.38 -44.57 4 3 1 51 243.758 6
Hi High (pH 8-9.5) 1.15 2.15 -31.19 4 3 1 51 243.758 6
Mid Mid (pH 6-8) 1.15 2.69 -122.02 5 3 2 52 244.766 6

Activity (Go SEA)

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