UCSF

ZINC28713149

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 29 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) 4.47 12.41 -9.3 2 8 0 84 392.463 7
Lo Low (pH 4.5-6) 4.47 12.54 -29.27 3 8 1 86 393.471 7

Activity (Go SEA)

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