UCSF

ZINC37339182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 2.96 7.65 -32.15 1 2 1 22 200.346 6
Hi High (pH 8-9.5) 2.96 6.11 -4.85 0 2 0 20 199.338 6

Activity (Go SEA)

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