UCSF

ZINC20612746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) 1.36 5.33 -17.95 1 5 0 62 303.406 4
Lo Low (pH 4.5-6) 1.36 5.77 -56.46 2 5 1 64 304.414 4

Activity (Go SEA)

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