UCSF

ZINC43454498

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) 3.28 7.64 -102.35 4 2 2 32 230.44 10
Hi High (pH 8-9.5) 3.28 7.24 -29.39 3 2 1 30 229.432 10
Hi High (pH 8-9.5) 3.28 7.6 -41.71 3 2 1 31 229.432 10

Activity (Go SEA)

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