UCSF

ZINC44269182

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 4.41 7.76 -5.7 3 3 0 55 275.783 2
Mid Mid (pH 6-8) 4.41 7.88 -27.82 4 3 1 56 276.791 2

Activity (Go SEA)

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