UCSF

ZINC37335144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

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) -0.55 -1.95 -42.17 1 7 -1 104 246.202 2
Lo Low (pH 4.5-6) -1.00 0.72 -11.84 2 7 0 101 247.21 2

Activity (Go SEA)

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