UCSF

ZINC39080267

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -3.11 1.55 -74.7 4 5 1 75 188.251 3
Hi High (pH 8-9.5) -3.11 -1.51 -41.79 2 5 -1 73 186.235 3
Mid Mid (pH 6-8) -3.11 -0.82 -33.27 3 5 0 74 187.243 3

Activity (Go SEA)

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