UCSF

ZINC36722761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 26 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) 2.91 3.72 -11.74 2 6 0 71 356.422 6
Hi High (pH 8-9.5) 2.91 4.73 -57.82 1 6 -1 74 355.414 6
Lo Low (pH 4.5-6) 2.91 5.98 -49.57 3 6 1 72 357.43 6

Activity (Go SEA)

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