UCSF

ZINC15111910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 25 Yes

Other Names:

MFCD11054666

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) 3.42 8.7 -9.38 1 5 0 60 348.431 5
Lo Low (pH 4.5-6) 3.42 8.98 -41.02 2 5 1 61 349.439 5

Activity (Go SEA)

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