UCSF

ZINC04899713

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 13 Yes

CAS Number: 16364-35-5

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) -1.34 -0.75 -48.52 2 6 -1 98 185.159 3

Activity (Go SEA)

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