UCSF

ZINC37798617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.68 6.55 -43.7 3 3 1 48 314.247 6
Mid Mid (pH 6-8) 2.68 6.27 -6.72 2 3 0 46 313.239 6

Activity (Go SEA)

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