UCSF

ZINC02540227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Other Names:

MFCD04972773

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) 2.67 3.14 -33.52 0 1 -1 23 181.52 0
Lo Low (pH 4.5-6) 2.67 2.37 -3.5 1 1 0 20 182.528 0

Activity (Go SEA)

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