UCSF

ZINC05608796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 23 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) 2.67 5.66 -11.34 2 5 0 72 326.425 4
Lo Low (pH 4.5-6) 2.67 5.88 -36.57 3 5 1 73 327.433 4

Activity (Go SEA)

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