UCSF

ZINC43252573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.53 5.19 -47.66 3 3 1 44 310.874 6
Hi High (pH 8-9.5) 2.53 5.22 -4.95 2 3 0 42 309.866 6
Mid Mid (pH 6-8) 2.53 7.07 -39.37 3 3 1 43 310.874 6
Mid Mid (pH 6-8) 2.53 7.39 -127.96 4 3 2 45 311.882 6

Activity (Go SEA)

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