UCSF

ZINC48779356

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 27 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) 2.62 5.25 -10.5 2 5 0 54 367.493 7
Mid Mid (pH 6-8) 2.62 6.99 -51.8 3 5 1 58 368.501 7

Activity (Go SEA)

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