UCSF

ZINC95079449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 21 Yes

CAS Number: 3868-32-4

Other Names:

MFCD00036759

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) -2.28 -11.26 -49.18 6 11 -1 178 297.251 2

Activity (Go SEA)

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

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