UCSF

ZINC37859795

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 0.33 6.2 -103.44 4 4 2 49 257.422 7
Mid Mid (pH 6-8) 0.33 4.4 -77.29 4 4 2 41 257.422 7
Mid Mid (pH 6-8) 0.33 5.67 -195.05 5 4 3 46 258.43 7

Activity (Go SEA)

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