UCSF

ZINC42626051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 2.21 8.66 -35.33 1 4 1 44 283.417 6
Mid Mid (pH 6-8) 2.21 6.4 -6.5 0 4 0 42 282.409 6

Activity (Go SEA)

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