UCSF

ZINC11821032

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 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) 1.57 -4.83 -12.78 1 7 0 80 395.507 5
Lo Low (pH 4.5-6) 1.57 -4.69 -41.55 2 7 1 81 396.515 5

Activity (Go SEA)

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