UCSF

ZINC41043087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.90 2.25 -6.86 1 4 0 59 327.631 4
Hi High (pH 8-9.5) 2.90 2.15 -35.63 0 4 -1 61 326.623 4

Activity (Go SEA)

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