UCSF

ZINC20872420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 3.09 7.78 -47.03 3 6 1 73 371.457 8
Hi High (pH 8-9.5) 3.09 6.37 -14.8 2 6 0 69 370.449 8

Activity (Go SEA)

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