UCSF

ZINC23359186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.18 10.28 -41.96 2 4 1 37 366.529 7
Lo Low (pH 4.5-6) 3.18 12.55 -122.11 3 4 2 38 367.537 7
Lo Low (pH 4.5-6) 3.18 10.32 -46.12 2 4 1 37 366.529 7

Activity (Go SEA)

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