UCSF

ZINC42616183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 0.97 5.48 -45.19 3 3 1 40 277.432 8
Hi High (pH 8-9.5) 0.97 5.14 -2.22 2 3 0 38 276.424 8
Mid Mid (pH 6-8) 0.97 6.23 -27.26 3 3 1 40 277.432 8

Activity (Go SEA)

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