UCSF

ZINC36191066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.72 3.14 -45.92 2 5 1 63 304.823 5
Hi High (pH 8-9.5) 1.72 3.52 -29 1 5 0 66 303.815 5
Hi High (pH 8-9.5) 1.72 1.04 -8.73 1 5 0 62 303.815 5

Activity (Go SEA)

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