UCSF

ZINC37113869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.61 3.17 -4.78 2 4 0 57 238.331 7
Lo Low (pH 4.5-6) 3.61 4.15 -24.52 3 4 1 59 239.339 7

Activity (Go SEA)

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