UCSF

ZINC59786813

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 13 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) 2.07 6.66 -39.33 1 2 1 22 184.303 1
Mid Mid (pH 6-8) 2.07 5.14 -3.98 0 2 0 20 183.295 1

Activity (Go SEA)

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