UCSF

ZINC34575341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 2.46 7.29 -10 0 3 0 33 264.328 2
Lo Low (pH 4.5-6) 2.46 8.16 -29.17 1 3 1 34 265.336 2

Activity (Go SEA)

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