UCSF

ZINC34580476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.75 11.9 -46.89 1 5 1 43 391.576 9
Hi High (pH 8-9.5) 4.75 10.34 -7.22 0 5 0 42 390.568 9

Activity (Go SEA)

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