UCSF

ZINC04059164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 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) 4.12 0.06 -9.82 1 4 0 54 337.448 4
Lo Low (pH 4.5-6) 4.12 0.21 -36.38 2 4 1 56 338.456 4

Activity (Go SEA)

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