UCSF

ZINC48345377

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 20 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) 0.37 4.22 -41.41 2 5 1 50 275.376 5
Mid Mid (pH 6-8) 0.37 4.14 -40.88 2 5 1 50 275.376 5
Mid Mid (pH 6-8) 0.37 1.96 -9.52 1 5 0 48 274.368 5

Activity (Go SEA)

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