UCSF

ZINC36679885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 1.22 6.17 -30.74 2 3 1 40 210.345 6
Hi High (pH 8-9.5) 1.22 3.92 -7.22 1 3 0 39 209.337 6
Mid Mid (pH 6-8) 1.22 5.41 -42.15 2 3 1 44 210.345 6
Mid Mid (pH 6-8) 1.22 7.16 -113.56 3 3 2 45 211.353 6

Activity (Go SEA)

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