UCSF

ZINC44684172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.25 8.45 -32.85 2 2 1 16 265.808 4
Hi High (pH 8-9.5) 3.25 6.1 -1.78 1 2 0 15 264.8 4
Hi High (pH 8-9.5) 3.25 7.01 -42.2 2 2 1 20 265.808 4

Activity (Go SEA)

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