UCSF

ZINC04401021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 12 Yes

CAS Number: 2191-67-5

Other Names:

MFCD00019723

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) 2.29 -3.82 -7.84 3 3 0 55 170.256 1

Activity (Go SEA)

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