UCSF

ZINC42782179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.40 6.19 -50.08 2 4 1 54 313.487 6
Hi High (pH 8-9.5) 3.40 5.02 -7.78 1 4 0 49 312.479 6

Activity (Go SEA)

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