UCSF

ZINC37814131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 2.21 5.41 -42.49 3 3 1 48 320.276 5
Mid Mid (pH 6-8) 2.21 5.08 -7.46 2 3 0 46 319.268 5

Activity (Go SEA)

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