UCSF

ZINC34402669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 18 Yes

Other Names:

MFCD18157725

QA-3519

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) 3.16 7.89 -7.62 0 4 0 43 247.294 5
Lo Low (pH 4.5-6) 3.16 8.04 -38.23 1 4 0 44 248.302 5

Activity (Go SEA)

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