UCSF

ZINC05838015

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 8 Yes

CAS Number: 1817-89-6

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) 2.47 1.29 -1.47 0 1 0 9 116.204 4

Activity (Go SEA)

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