UCSF

ZINC30613915

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 29 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) 3.33 11.02 -19.44 1 7 0 78 406.515 5
Hi High (pH 8-9.5) 3.40 9.97 -46.29 0 7 -1 84 405.507 5

Activity (Go SEA)

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