UCSF

ZINC39318900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 Yes

Other Names:

MFCD16073821

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) 0.93 2.34 -42.3 3 3 1 40 209.313 6
Lo Low (pH 4.5-6) 0.93 4.58 -108.95 4 3 2 41 210.321 6

Activity (Go SEA)

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