UCSF

ZINC43914701

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) 1.87 5.6 -111.51 3 3 2 30 216.369 5
Hi High (pH 8-9.5) 1.87 2.79 -1.01 1 3 0 24 214.353 5
Hi High (pH 8-9.5) 1.87 3.64 -34.69 2 3 1 29 215.361 5
Mid Mid (pH 6-8) 1.87 4.64 -33.98 2 3 1 26 215.361 5

Activity (Go SEA)

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