UCSF

ZINC55291862

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 18 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) 3.60 8.33 -35.63 2 2 1 16 312.275 5
Mid Mid (pH 6-8) 3.60 7.29 -43.73 2 2 1 20 312.275 5

Activity (Go SEA)

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