UCSF

ZINC41815779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 25 No

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) 2.61 7.99 -35.94 0 5 -1 61 356.471 1
Mid Mid (pH 6-8) 2.15 9.27 -12.26 1 5 0 58 357.479 1

Activity (Go SEA)

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