UCSF

ZINC00401517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Other Names:

MFCD00171510

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) 2.85 6.64 -7.79 1 2 0 29 189.258 3
Lo Low (pH 4.5-6) 3.04 5.16 -29.09 2 2 1 34 190.266 3

Activity (Go SEA)

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