UCSF

ZINC37205321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 30 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) 3.89 12.49 -37.38 1 6 1 55 423.924 4
Hi High (pH 8-9.5) 3.89 10.44 -11.74 0 6 0 54 422.916 4

Activity (Go SEA)

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