UCSF

ZINC08701063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 Yes

Other Names:

MFCD06637435

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) 2.38 7.76 -7 0 2 0 26 212.296 5
Lo Low (pH 4.5-6) 2.38 8.04 -35.67 1 2 1 27 213.304 5
Lo Low (pH 4.5-6) 2.38 8.32 -72.87 2 2 2 28 214.312 5

Activity (Go SEA)

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