UCSF

ZINC44626755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) 1.36 5.71 -39.38 2 3 1 43 172.248 7
Mid Mid (pH 6-8) 1.36 4.37 -4.51 1 3 0 38 171.24 7

Activity (Go SEA)

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