UCSF

ZINC02065666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 Yes

Other Names:

MFCD03862977

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) 4.13 7.68 -6.87 1 2 0 29 235.371 4
Lo Low (pH 4.5-6) 4.32 6.41 -31.59 2 2 1 34 236.379 4

Activity (Go SEA)

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