UCSF

ZINC04899829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 30 Yes

CAS Number: 13171-96-5

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) 5.17 -3.7 -14.51 4 7 0 110 411.502 11

Activity (Go SEA)

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