UCSF

ZINC05035127

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 28 No

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) 1.82 3.64 -57 0 7 -1 94 374.376 3
Lo Low (pH 4.5-6) 1.63 6.16 -19.64 1 7 0 88 375.384 3

Activity (Go SEA)

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