UCSF

ZINC39318902

Substance Information

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

Other Names:

MFCD14627433

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) 0.98 4.41 -115.46 4 3 2 41 210.321 6
Mid Mid (pH 6-8) 0.98 2.27 -43.29 3 3 1 40 209.313 6

Activity (Go SEA)

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