UCSF

ZINC09034200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 19 Yes

Other Names:

MFCD01080177

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) 3.50 6.47 -9.85 1 4 0 55 276.361 5
Mid Mid (pH 6-8) 3.96 4.49 -48.05 0 4 -1 58 275.353 5

Activity (Go SEA)

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