UCSF

ZINC05821671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 11 Yes

CAS Number: 19781-28-3

Other Names:

MFCD00039624

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) 3.74 0.06 -1.37 1 1 0 20 158.285 6

Activity (Go SEA)

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