UCSF

ZINC37869981

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.45 0.29 -35.05 4 5 1 78 225.268 5
Mid Mid (pH 6-8) 0.45 -0.84 -10.03 3 5 0 74 224.26 5

Activity (Go SEA)

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