UCSF

ZINC52252080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 2.62 3.16 -9.48 2 4 0 67 258.701 5
Hi High (pH 8-9.5) 2.62 3.93 -42.56 1 4 -1 70 257.693 5

Activity (Go SEA)

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