UCSF

ZINC37460306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 1.32 2.68 -5.45 0 4 0 30 243.738 2
Mid Mid (pH 6-8) 1.32 4.85 -33.51 1 4 1 31 244.746 2

Activity (Go SEA)

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