UCSF

ZINC03286804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 30 Yes

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) 4.94 10.57 -13.7 1 5 0 60 430.476 6
Hi High (pH 8-9.5) 5.01 9.68 -46.39 0 5 -1 67 429.468 6

Activity (Go SEA)

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