UCSF

ZINC04845004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 23 Yes

CAS Number:

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) 4.48 -0.43 -10.21 1 3 0 38 317.404 5

Activity (Go SEA)

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