UCSF

ZINC35477673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 1.85 3.56 -14.27 2 7 0 87 371.466 4
Lo Low (pH 4.5-6) 1.85 3.96 -46.36 3 7 1 88 372.474 4

Activity (Go SEA)

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