UCSF

ZINC43916707

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 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) 1.11 2.06 -35.35 2 3 1 29 187.307 3
Lo Low (pH 4.5-6) 1.11 3.8 -108.49 3 3 2 30 188.315 3

Activity (Go SEA)

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