UCSF

ZINC37045944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.45 2.55 -11.48 3 4 0 68 261.712 4
Lo Low (pH 4.5-6) 1.45 2.96 -46.55 4 4 1 69 262.72 4

Activity (Go SEA)

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