UCSF

ZINC95878046

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 Yes

CAS Numbers: 54-12-6 , 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) -2.06 3.71 -35.2 3 4 0 80 204.229 3
Hi High (pH 8-9.5) -2.06 3.39 -45.94 2 4 -1 79 203.221 3

Activity (Go SEA)

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

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