UCSF

ZINC04046849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 Yes

CAS Number: 22611-26-3

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) 7.68 14.81 -3.64 0 1 0 17 424.713 0

Activity (Go SEA)

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