UCSF

ZINC34973343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.28 7.08 -36.36 2 3 1 26 263.405 8
Lo Low (pH 4.5-6) 2.28 8.3 -117.44 3 3 2 30 264.413 8

Activity (Go SEA)

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