UCSF

ZINC02391049

Substance Information

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

CAS Number: 28024-56-8

Other Names:

MFCD00038557

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) -1.02 3.77 -33.69 2 3 0 57 129.159 4
Hi High (pH 8-9.5) -1.02 2.41 -42.6 1 3 -1 52 128.151 4

Activity (Go SEA)

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