UCSF

ZINC37844160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.48 8.07 -13.35 1 5 0 52 325.21 5
Mid Mid (pH 6-8) 1.48 8.58 -38.45 2 5 1 53 326.218 5

Activity (Go SEA)

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