UCSF

ZINC88462979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 15 Yes

CAS Number: 73-22-3

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) -1.42 3.58 -41.45 3 4 0 80 204.229 3
Lo Low (pH 4.5-6) -1.42 4.18 -84.33 4 4 1 82 205.237 3
Lo Low (pH 4.5-6) -1.42 4.01 -71.44 4 4 1 82 205.237 3

Activity (Go SEA)

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

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