UCSF

ZINC02579550

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Other Names:

MFCD02259909

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) 3.31 7.95 -43.44 0 2 -1 40 169.244 7
Lo Low (pH 4.5-6) 3.31 5.99 -5.38 1 2 0 37 170.252 7

Activity (Go SEA)

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