UCSF

ZINC43404409

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 2.43 5.15 -14.12 1 3 0 57 190.246 3
Hi High (pH 8-9.5) 2.88 3.13 -46.06 0 3 -1 60 189.238 3

Activity (Go SEA)

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