UCSF

ZINC37806191

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) 0.24 -0.43 -45.68 4 6 1 80 257.358 5
Mid Mid (pH 6-8) 0.24 1.71 -99.71 5 6 2 81 258.366 5

Activity (Go SEA)

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