UCSF

ZINC08452138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 19 No

Other Names:

MFCD01343463

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) 5.02 0.38 -8.53 1 3 0 41 262.397 10
Lo Low (pH 4.5-6) 5.02 0.49 -36.83 2 3 1 43 263.405 10

Activity (Go SEA)

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