UCSF

ZINC45162450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 23 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) 1.73 2.72 -9.67 1 6 0 60 342.823 7
Mid Mid (pH 6-8) 1.73 5 -47.62 2 6 1 61 343.831 7

Activity (Go SEA)

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