UCSF

ZINC45690981

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 2.41 5.49 -6.73 0 3 0 36 222.332 1
Mid Mid (pH 6-8) 2.41 6.86 -36.07 1 3 1 37 223.34 1

Activity (Go SEA)

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