UCSF

ZINC17167471

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 No

Other Names:

MFCD02954780

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) 5.13 8.8 -9.79 1 5 0 64 368.458 5
Ref Reference (pH 7) 5.13 8.3 -10.24 1 5 0 64 368.458 5
Hi High (pH 8-9.5) 5.13 9.22 -46.79 0 5 -1 67 367.45 5
Hi High (pH 8-9.5) 5.13 9.72 -47.01 0 5 -1 67 367.45 5

Activity (Go SEA)

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