UCSF

ZINC98215058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 31 Yes

CAS Number: 33818-15-4

Other Names:

MFCD00037486

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) -5.45 0 -141.8 4 15 -1 219 487.319 10
Lo Low (pH 4.5-6) -5.45 -1.16 -71.95 5 15 0 216 488.327 10

Activity (Go SEA)

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

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