UCSF

ZINC03997422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 19 Yes

Other Names:

MFCD03012026

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) 2.58 -1 -10.67 1 3 0 46 275.304 3
Hi High (pH 8-9.5) 2.58 -0.42 -45.8 0 3 -1 48 274.296 3

Activity (Go SEA)

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