UCSF

ZINC37818704

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) -0.73 1.75 -44.8 3 5 1 74 189.235 5
Mid Mid (pH 6-8) -0.73 1.41 -11.12 2 5 0 73 188.227 5

Activity (Go SEA)

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