UCSF

ZINC09562881

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 29 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) 3.57 3.65 -16.16 2 7 0 102 436.486 7
Hi High (pH 8-9.5) 3.57 3.73 -50.02 1 7 -1 104 435.478 7
Hi High (pH 8-9.5) 3.57 3.76 -52.01 1 7 -1 104 435.478 7
Hi High (pH 8-9.5) 3.57 3.83 -110.85 0 7 -2 106 434.47 7

Activity (Go SEA)

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