UCSF

ZINC00014575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 4.36 10.84 -56.88 0 4 -1 62 346.406 5
Lo Low (pH 4.5-6) 4.36 11.1 -72.17 1 4 0 63 347.414 5

Activity (Go SEA)

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