UCSF

ZINC29590263

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 49 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.73 10.91 -62.13 4 13 -1 193 696.129 10
Lo Low (pH 4.5-6) 5.73 10.46 -41.71 5 13 0 190 697.137 10

Activity (Go SEA)

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