UCSF

ZINC39293295

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.34 10.24 -99.99 4 8 2 85 453.587 7
Mid Mid (pH 6-8) 2.34 9.86 -48.16 3 8 1 84 452.579 7

Activity (Go SEA)

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