UCSF

ZINC03871804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 20 No

CAS Number: 487-52-5

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) 2.28 -4.52 -16.73 4 5 0 97 272.256 3

Activity (Go SEA)

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