UCSF

ZINC36227743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.70 5.43 -14.64 1 7 0 73 471.41 6
Lo Low (pH 4.5-6) 3.70 6.17 -87.16 2 7 0 74 472.418 6

Activity (Go SEA)

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