UCSF

ZINC20005751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 Yes

Other Names:

MFCD13361940

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) 3.78 5.31 -7.58 2 4 0 51 307.777 6
Hi High (pH 8-9.5) 3.78 6.07 -47.66 1 4 -1 54 306.769 6

Activity (Go SEA)

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