UCSF

ZINC40150973

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 22 No

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) -1.45 11.39 -93.92 3 5 2 49 304.438 6
Hi High (pH 8-9.5) -1.45 9.18 -25.8 2 5 1 47 303.43 6

Activity (Go SEA)

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