UCSF

ZINC19794222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 Yes

Other Names:

MFCD06446690

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) 4.40 9.38 -88.28 2 6 -1 106 321.312 4
Hi High (pH 8-9.5) 4.40 8.98 -96.15 1 6 -2 105 320.304 4
Hi High (pH 8-9.5) 4.14 8.99 -125.64 2 6 -1 110 321.312 3

Activity (Go SEA)

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