UCSF

ZINC36639433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 5.78 12.03 -18.74 1 4 0 51 440.874 7
Hi High (pH 8-9.5) 5.96 9.63 -47.98 0 4 -1 58 439.866 7

Activity (Go SEA)

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