UCSF

ZINC39953897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 31 Yes

Other Names:

MFCD01860997

N/A

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) 3.27 13.48 -40.13 3 5 0 94 435.907 8
Hi High (pH 8-9.5) 3.27 13.21 -48.49 2 5 -1 92 434.899 8

Activity (Go SEA)

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