UCSF

ZINC00661115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD03234366

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) 4.98 8.93 -11.35 3 4 0 68 411.577 5
Lo Low (pH 4.5-6) 4.98 9.21 -32 4 4 1 69 412.585 5

Activity (Go SEA)

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