UCSF

ZINC42092558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 22 Yes

Other Names:

MFCD06218240

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) 4.11 6.49 -45.44 0 5 -1 75 338.792 5
Mid Mid (pH 6-8) 4.11 6.42 -9.44 1 5 0 72 339.8 5

Activity (Go SEA)

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