UCSF

ZINC14985561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 16 No

CAS Number: 861593-27-3

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) 2.24 6.63 -61.85 0 7 -1 112 224.148 4

Activity (Go SEA)

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