UCSF

ZINC31361969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 32 Yes

CAS Numbers: 6359-29-1 , [6359-29-1]

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) 5.41 11.02 -55.16 1 7 -1 99 430.436 4

Activity (Go SEA)

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