UCSF

ZINC72115181

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 31 Yes

CAS Number: 133454-47-4

Other Names:

MFCD00866688

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) 3.95 12.09 -53.94 1 6 1 66 427.496 8

Vendor Notes

Note Type Comments Provided By
Indications antipsychotic, schizophrenia KeyOrganics Bioactives

Activity (Go SEA)

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