UCSF

ZINC42777819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.10 6.4 -104.72 4 5 2 53 269.437 7
Hi High (pH 8-9.5) 1.10 6.15 -42.28 3 5 1 52 268.429 7
Hi High (pH 8-9.5) 1.10 4.12 -45.54 3 5 1 52 268.429 7

Activity (Go SEA)

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