UCSF

ZINC06898492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 25 Yes

Other Names:

MFCD03730848

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) 4.47 4.9 -8.99 4 4 0 82 406.216 3
Lo Low (pH 4.5-6) 4.47 5.11 -39.2 5 4 1 83 407.224 3

Activity (Go SEA)

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