UCSF

ZINC31996540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 33 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) 4.46 12.77 -9.99 0 6 0 49 448.611 7
Mid Mid (pH 6-8) 4.46 14.98 -39.4 1 6 1 50 449.619 7

Activity (Go SEA)

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