UCSF

ZINC36205178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 2.02 6.25 -52.76 3 6 1 80 366.507 7
Hi High (pH 8-9.5) 2.02 3.94 -13.53 2 6 0 78 365.499 7
Hi High (pH 8-9.5) 2.48 3.68 -49.04 2 6 0 83 365.499 7

Activity (Go SEA)

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