UCSF

ZINC02168275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 14 Yes

CAS Number: 18479-98-6

Other Names:

MFCD00037791

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) -2.35 -5.01 -66.84 4 7 0 114 203.198 6

Activity (Go SEA)

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