UCSF

ZINC39964043

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 37 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) 4.87 16.06 -13.08 1 7 0 76 508.5 8
Mid Mid (pH 6-8) 4.87 16.53 -37.92 2 7 1 78 509.508 8

Activity (Go SEA)

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