UCSF

ZINC00467886

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Other Names:

MFCD03784224

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) 4.31 -2.05 -8.42 1 3 0 46 321.467 4
Hi High (pH 8-9.5) 4.31 -1.48 -42.79 0 3 -1 48 320.459 4

Activity (Go SEA)

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