UCSF

ZINC37322902

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) -0.36 4.93 -44.63 1 4 1 42 199.274 3
Hi High (pH 8-9.5) -0.36 2.66 -10.18 0 4 0 41 198.266 3

Activity (Go SEA)

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