UCSF

ZINC49478352

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 14 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) 0.64 5.34 -205.17 5 3 3 38 202.366 7
Hi High (pH 8-9.5) 0.64 1.54 -34.23 3 3 1 32 200.35 7
Hi High (pH 8-9.5) 0.64 2.81 -31.08 3 3 1 28 200.35 7

Activity (Go SEA)

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