UCSF

ZINC41304658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.95 10.54 -15.42 0 5 0 41 368.868 3
Lo Low (pH 4.5-6) 2.95 11.49 -52.08 1 5 1 42 369.876 3
Lo Low (pH 4.5-6) 2.95 11.86 -109.22 2 5 2 43 370.884 3
Lo Low (pH 4.5-6) 2.95 9.67 -35.66 1 5 1 42 369.876 3

Activity (Go SEA)

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