UCSF

ZINC35125916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 3.21 8.81 -58.14 1 4 -1 69 280.388 5
Mid Mid (pH 6-8) 3.21 6.64 -12.49 2 4 0 66 281.396 5

Activity (Go SEA)

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