UCSF

ZINC03871647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 32 No

CAS Number: 130370-60-4

Other Names:

DNC000274

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) 3.50 -3.23 -24.92 4 7 0 107 477.652 12
Hi High (pH 8-9.5) 3.69 -2.66 -77.44 3 7 -1 113 476.644 12

Activity (Go SEA)

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