UCSF

ZINC55332780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 19 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) 4.24 8.96 -27.36 3 3 1 45 258.389 4
Mid Mid (pH 6-8) 4.24 8.82 -6.36 2 3 0 44 257.381 4

Activity (Go SEA)

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