UCSF

ZINC36616757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 3.17 9.31 -15.41 1 7 0 72 441.535 5
Lo Low (pH 4.5-6) 3.17 11.57 -46.33 2 7 1 73 442.543 5

Activity (Go SEA)

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