UCSF

ZINC37232379

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) 1.59 5.24 -28.77 2 4 1 40 266.39 7
Mid Mid (pH 6-8) 1.59 4.77 -9.85 1 4 0 39 265.382 7
Lo Low (pH 4.5-6) 1.59 5.7 -38.19 2 4 1 44 266.39 7

Activity (Go SEA)

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