UCSF

ZINC37116157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.37 0.71 -11 2 4 0 54 193.25 4
Lo Low (pH 4.5-6) 0.37 1.81 -47.3 3 4 1 59 194.258 4
Lo Low (pH 4.5-6) 0.37 1.17 -36.3 3 4 1 55 194.258 4

Activity (Go SEA)

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