UCSF

ZINC12042878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 21 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) 2.45 -3.52 -13.04 1 6 0 78 328.777 5
Hi High (pH 8-9.5) 2.45 -2.94 -45.22 0 6 -1 80 327.769 5
Lo Low (pH 4.5-6) 2.45 -3.05 -37.18 2 6 1 79 329.785 5

Activity (Go SEA)

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