UCSF

ZINC02522497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

CAS Number: 52497-36-6

Other Names:

MFCD00057181

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) -0.13 -0.93 -92.15 2 5 -1 96 214.241 4

Activity (Go SEA)

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