UCSF

ZINC44648287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.24 1.72 -91.45 5 6 2 79 258.366 6
Hi High (pH 8-9.5) -0.24 0.36 -43.03 4 6 1 75 257.358 6

Activity (Go SEA)

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