UCSF

ZINC18044241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 24 Yes

CAS Number: 17376-91-9

Other Names:

MFCD00023903

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) 2.72 5.68 -24.14 3 6 0 98 315.336 2
Hi High (pH 8-9.5) 3.18 4.58 -57.56 2 6 -1 101 314.328 2

Activity (Go SEA)

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