UCSF

ZINC37141961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.50 6.08 -46.16 3 3 1 46 304.332 5
Hi High (pH 8-9.5) 3.50 6.85 -37.5 2 3 0 49 303.324 5

Activity (Go SEA)

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