UCSF

ZINC61820978

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.84 8.67 -33.92 1 2 1 17 287.88 4
Mid Mid (pH 6-8) 3.84 6.56 -3.94 0 2 0 16 286.872 4

Activity (Go SEA)

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