UCSF

ZINC37877410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 2.88 8.03 -109.85 4 3 2 41 357.336 7
Hi High (pH 8-9.5) 2.88 6.66 -33.69 3 3 1 37 356.328 7
Mid Mid (pH 6-8) 2.88 5.92 -44.95 3 3 1 40 356.328 7

Activity (Go SEA)

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