UCSF

ZINC13689282

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 4.27 6.59 -43.39 1 5 -1 74 353.423 5
Ref Reference (pH 7) 4.76 7.02 -10.07 2 5 0 75 354.431 4
Hi High (pH 8-9.5) 5.21 5.26 -47.27 1 5 -1 78 353.423 4
Hi High (pH 8-9.5) 5.21 4.69 -47.83 1 5 -1 78 353.423 4

Activity (Go SEA)

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