UCSF

ZINC43915241

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) 2.00 3.83 -34.76 2 3 1 29 215.361 5
Hi High (pH 8-9.5) 2.00 2.85 -1.2 1 3 0 24 214.353 5
Hi High (pH 8-9.5) 2.00 4.56 -29.51 2 3 1 26 215.361 5

Activity (Go SEA)

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