UCSF

ZINC37240034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.45 2.91 -35.99 3 4 1 46 257.398 8
Lo Low (pH 4.5-6) 1.45 1.88 -37.1 3 4 1 49 257.398 8
Lo Low (pH 4.5-6) 1.45 4.14 -101.91 4 4 2 51 258.406 8

Activity (Go SEA)

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