UCSF

ZINC05883884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 29 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) 3.35 2.66 -9.98 4 7 0 117 388.427 5
Ref Reference (pH 7) 3.35 3.34 -10.56 4 7 0 117 388.427 5
Lo Low (pH 4.5-6) 3.35 3.57 -59.3 5 7 1 119 389.435 5

Activity (Go SEA)

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