UCSF

ZINC00617766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 Yes

Other Names:

MFCD02325453

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) 3.24 5.84 -11.61 2 4 0 54 310.184 4
Lo Low (pH 4.5-6) 3.24 6.29 -40.7 3 4 1 55 311.192 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.