UCSF

ZINC49336789

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 1.81 5.1 -39.65 2 5 1 59 279.408 5
Mid Mid (pH 6-8) 1.81 5.19 -100.89 3 5 2 60 280.416 5

Activity (Go SEA)

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