UCSF

ZINC59819373

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 23 No

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) 1.48 2.85 -44.39 6 7 1 110 318.401 8
Hi High (pH 8-9.5) 1.48 1.68 -15.6 5 7 0 105 317.393 8
Mid Mid (pH 6-8) 1.48 2.92 -80.14 7 7 2 111 319.409 8

Activity (Go SEA)

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