UCSF

ZINC34523431

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 Yes

Other Names:

MFCD11111151

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) 1.37 6.72 -47.39 3 4 1 52 260.361 6
Hi High (pH 8-9.5) 1.37 4.25 -12.47 2 4 0 51 259.353 6

Activity (Go SEA)

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