UCSF

ZINC39269675

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 Yes

Other Names:

MFCD00785792

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) 2.24 7.7 -34.8 1 3 1 31 200.302 5
Hi High (pH 8-9.5) 2.24 5.81 -3.62 0 3 0 30 199.294 5

Activity (Go SEA)

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