UCSF

ZINC09859951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 27 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) 2.38 -1.42 -17.35 1 6 0 72 359.433 5
Lo Low (pH 4.5-6) 2.38 -1.3 -51.01 2 6 1 73 360.441 5

Activity (Go SEA)

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