UCSF

ZINC45698029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.01 7.54 -47.64 2 5 1 45 277.392 7
Hi High (pH 8-9.5) 2.01 5.08 -11.6 1 5 0 44 276.384 7
Mid Mid (pH 6-8) 2.01 8.21 -82.5 3 5 2 46 278.4 7

Activity (Go SEA)

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