UCSF

ZINC36191327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.13 6.18 -69.98 1 5 0 65 228.292 4
Lo Low (pH 4.5-6) -0.13 4.2 -43.17 2 5 1 62 229.3 4

Activity (Go SEA)

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