UCSF

ZINC43910939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.08 9.53 -123.79 3 2 2 21 266.404 4
Hi High (pH 8-9.5) 3.08 8.62 -39.82 2 2 1 16 265.396 4
Hi High (pH 8-9.5) 3.08 7.54 -39.71 2 2 1 20 265.396 4

Activity (Go SEA)

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