UCSF

ZINC27644005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 Yes

CAS Number: 53-86-1

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) 1.62 8.6 -43.16 0 5 -1 70 358.801 4

Activity (Go SEA)

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