UCSF

ZINC37479352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 1.70 2.72 -51.11 4 3 1 57 197.302 2
Mid Mid (pH 6-8) 1.70 2.49 -6.48 3 3 0 55 196.294 2

Activity (Go SEA)

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