UCSF

ZINC25781653

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 26 Yes

CAS Number: 979-88-4

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) 3.59 8.41 -120.92 0 6 -2 106 342.31 3

Activity (Go SEA)

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