UCSF

ZINC23067322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 12 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) 0.26 0.57 -44.59 3 3 1 40 173.28 3
Lo Low (pH 4.5-6) 0.26 2.29 -111.22 4 3 2 41 174.288 3

Activity (Go SEA)

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