UCSF

ZINC57334995

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 20 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) 2.23 4.3 -42.81 4 4 1 58 275.303 3
Mid Mid (pH 6-8) 2.23 4.41 -8.12 3 4 0 57 274.295 3

Activity (Go SEA)

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