UCSF

ZINC44679458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 0.49 3.48 -89.54 4 4 2 42 241.379 5
Hi High (pH 8-9.5) 0.49 2.13 -31.43 3 4 1 38 240.371 5
Hi High (pH 8-9.5) 0.49 0.98 -39.28 3 4 1 41 240.371 5

Activity (Go SEA)

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