UCSF

ZINC37039193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.38 0.19 -51.48 3 6 1 81 299.42 5
Mid Mid (pH 6-8) -0.38 2.03 -118.53 4 6 2 82 300.428 5

Activity (Go SEA)

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