UCSF

ZINC13544404

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 9 Yes

CAS Number: 13039-75-3

Other Names:

MFCD06797300

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) -0.47 -4.85 -7.77 3 4 0 70 134.131 0

Activity (Go SEA)

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