UCSF

ZINC02561015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

CAS Number: 50997-16-5

Other Names:

MFCD00237914

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) -1.23 -6.26 -114.18 5 9 -1 166 260.226 8

Activity (Go SEA)

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