UCSF

ZINC39644846

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 9 No

CAS Number: 13039-75-3

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) -1.21 -3.93 -8.56 3 4 0 78 134.131 3

Activity (Go SEA)

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