UCSF

ZINC43477361

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 2.03 2.94 -51.98 4 3 1 57 242.726 3
Hi High (pH 8-9.5) 2.03 2.54 -6.95 3 3 0 55 241.718 3

Activity (Go SEA)

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