UCSF

ZINC02579865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

Other Names:

MFCD02260871

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) 4.55 10.56 -46.83 0 3 -1 57 302.177 8
Lo Low (pH 4.5-6) 4.55 8.59 -9.15 1 3 0 54 303.185 8

Activity (Go SEA)

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