UCSF

ZINC49854528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 17 No

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) -0.22 2.25 -15.1 0 6 0 59 244.291 6
Mid Mid (pH 6-8) -0.22 4.43 -47.59 1 6 1 60 245.299 6

Activity (Go SEA)

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