UCSF

ZINC36389270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 22 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) 4.46 8.94 -38.3 2 2 1 20 305.53 5
Mid Mid (pH 6-8) 4.46 9.32 -34.39 2 2 1 16 305.53 5
Mid Mid (pH 6-8) 4.46 10.67 -122.37 3 2 2 21 306.538 5

Activity (Go SEA)

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