UCSF

ZINC54110761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 26 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) 2.64 14.31 -24.6 1 2 1 16 357.502 5
Hi High (pH 8-9.5) 6.64 13.63 -6.74 0 2 0 17 356.494 4

Activity (Go SEA)

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