UCSF

ZINC43286086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 2.14 3.22 -43.75 3 3 1 40 334.303 4
Hi High (pH 8-9.5) 2.14 2.93 -2.86 2 3 0 38 333.295 4

Activity (Go SEA)

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