UCSF

ZINC49478670

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 0.01 6.96 -185.66 5 4 3 52 213.349 9
Hi High (pH 8-9.5) 0.01 5.11 -48.81 3 4 1 46 211.333 9
Mid Mid (pH 6-8) 0.01 5.62 -80.17 4 4 2 48 212.341 9
Mid Mid (pH 6-8) 0.01 6.45 -128.49 4 4 2 51 212.341 9
Mid Mid (pH 6-8) 0.01 5.11 -43.92 3 4 1 46 211.333 9

Activity (Go SEA)

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