UCSF

ZINC18143439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 21 No

Other Names:

MFCD00589100

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) 3.60 7.59 -11.91 3 4 0 57 299.399 5
Ref Reference (pH 7) 3.60 7.25 -10.44 3 4 0 57 299.399 5
Hi High (pH 8-9.5) 3.60 8.03 -41.66 2 4 -1 59 298.391 5
Hi High (pH 8-9.5) 3.60 8.35 -43.88 2 4 -1 59 298.391 5

Activity (Go SEA)

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