UCSF

ZINC04032442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 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) 3.14 -2.57 -9.45 1 5 0 57 245.33 3
Lo Low (pH 4.5-6) 3.14 7.62 -30.91 2 5 1 59 246.338 3

Activity (Go SEA)

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