UCSF

ZINC00000829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 Yes

CAS Numbers: 76448-47-0 , 82924-71-8

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) 2.80 0.52 -43.86 3 4 1 48 327.448 5

Activity (Go SEA)

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