UCSF

ZINC44836261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 Yes

Other Names:

MFCD18173543

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) 4.58 4.82 -5.22 2 3 0 41 342.62 4
Hi High (pH 8-9.5) 4.58 5.58 -38.99 1 3 -1 44 341.612 4

Activity (Go SEA)

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