UCSF

ZINC37848448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.03 1.98 -6.09 2 3 0 41 257.296 9
Mid Mid (pH 6-8) 2.03 3.36 -46.09 3 3 1 46 258.304 9

Activity (Go SEA)

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