UCSF

ZINC02579985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Other Names:

MFCD02260995

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) 4.06 10.45 -49.2 0 4 -1 66 291.367 10
Lo Low (pH 4.5-6) 4.06 8.47 -10.92 1 4 0 64 292.375 10

Activity (Go SEA)

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