UCSF

ZINC34991944

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) 3.49 7.41 -40.38 2 2 1 20 261.433 5
Mid Mid (pH 6-8) 3.49 8.54 -32.25 2 2 1 16 261.433 5
Lo Low (pH 4.5-6) 3.49 9.72 -113.54 3 2 2 21 262.441 5

Activity (Go SEA)

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