UCSF

ZINC32003060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 Yes

CAS Number: 1841-44-7

Other Names:

MFCD11933470

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) 3.56 7.63 -47.79 0 2 -1 40 233.193 2

Activity (Go SEA)

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