UCSF

ZINC34978658

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.92 4.53 -43.38 3 3 1 46 321.622 6
Hi High (pH 8-9.5) 2.92 3.19 -6.31 2 3 0 41 320.614 6

Activity (Go SEA)

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