UCSF

ZINC53132809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.58 8.19 -31.03 2 4 1 52 269.372 5
Mid Mid (pH 6-8) 2.58 7.7 -8.23 1 4 0 51 268.364 5
Lo Low (pH 4.5-6) 2.58 8.66 -81.27 3 4 2 53 270.38 5

Activity (Go SEA)

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