UCSF

ZINC37144272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 No

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) 2.69 8.74 -35.59 3 3 1 40 307.483 6
Hi High (pH 8-9.5) 2.69 6.6 -10.55 2 3 0 38 306.475 6

Activity (Go SEA)

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