UCSF

ZINC34450706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 2.43 6.5 -105.19 3 2 2 21 200.37 5
Mid Mid (pH 6-8) 2.43 4.76 -38.37 2 2 1 20 199.362 5

Activity (Go SEA)

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