UCSF

ZINC08442278

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 Yes

Other Names:

MFCD06249659

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) 4.74 -6.73 -18.53 2 6 0 92 430.551 6
Hi High (pH 8-9.5) 4.74 -6.15 -57.51 1 6 -1 94 429.543 6
Hi High (pH 8-9.5) 4.74 -5.69 -124.13 0 6 -2 96 428.535 6
Hi High (pH 8-9.5) 4.74 -6.26 -54.96 1 6 -1 94 429.543 6

Activity (Go SEA)

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