UCSF

ZINC37171620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 2.82 7.57 -44.98 1 2 1 28 169.292 6
Hi High (pH 8-9.5) 2.82 5.52 -4.14 0 2 0 27 168.284 6

Activity (Go SEA)

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