UCSF

ZINC04239273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 23 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) 3.29 11.73 -38.67 1 4 1 33 307.421 4
Lo Low (pH 4.5-6) 3.29 12.26 -86.92 2 4 2 35 308.429 4

Activity (Go SEA)

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