UCSF

ZINC48037000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 15 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) 0.61 4.97 -64.54 1 4 0 48 214.309 4
Lo Low (pH 4.5-6) 0.61 6.95 -68.1 2 4 1 49 215.317 4

Activity (Go SEA)

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