UCSF

ZINC34671909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 2.79 8.63 -14.43 1 6 0 66 388.418 4
Lo Low (pH 4.5-6) 2.79 8.95 -45.1 2 6 1 67 389.426 4

Activity (Go SEA)

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