UCSF

ZINC22211631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.29 5.12 -50.24 3 4 1 49 271.388 4
Hi High (pH 8-9.5) 1.29 7.58 -33.46 3 4 1 48 271.388 4
Lo Low (pH 4.5-6) 1.29 7.28 -124.55 4 4 2 50 272.396 4

Activity (Go SEA)

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