UCSF

ZINC04213363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 28 No

CAS Number: 2193-87-5

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) 1.89 -1.98 -17.13 3 5 0 94 390.451 2

Activity (Go SEA)

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