UCSF

ZINC44359935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 40 No

CAS Number: 102841-42-9

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) -0.85 -14.98 -16.79 10 14 0 239 568.528 8

Activity (Go SEA)

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