UCSF

ZINC37869478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.57 1.22 -32.83 4 4 1 60 214.333 5
Mid Mid (pH 6-8) 0.57 0.2 -42.89 4 4 1 63 214.333 5
Lo Low (pH 4.5-6) 0.57 2.43 -103.07 5 4 2 64 215.341 5

Activity (Go SEA)

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