UCSF

ZINC43916041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 1.88 3.44 -30.62 2 3 1 29 215.361 6
Hi High (pH 8-9.5) 1.88 2.34 -1.73 1 3 0 24 214.353 6
Hi High (pH 8-9.5) 1.88 4.32 -30.71 2 3 1 26 215.361 6

Activity (Go SEA)

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