UCSF

ZINC00000587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 24 Yes

CAS Number: 121650-80-4

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) 3.27 -2.48 -39.17 4 5 1 68 350.87 5

Activity (Go SEA)

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