UCSF

ZINC36809983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 3.34 6.09 -47.86 3 3 1 48 265.421 1
Mid Mid (pH 6-8) 3.34 6.33 -5.3 2 3 0 46 264.413 1

Activity (Go SEA)

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