UCSF

ZINC41753648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 1.83 7.25 -42.18 1 3 -1 52 274.262 6
Lo Low (pH 4.5-6) 1.83 5.46 -6.77 2 3 0 49 275.27 6

Activity (Go SEA)

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