UCSF

ZINC36841108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 4.61 8.75 -44.73 2 2 1 20 309.905 7
Hi High (pH 8-9.5) 4.61 7.29 -1.86 1 2 0 15 308.897 7
Mid Mid (pH 6-8) 4.61 9.55 -31.91 2 2 1 16 309.905 7
Mid Mid (pH 6-8) 4.61 10.8 -119.59 3 2 2 21 310.913 7

Activity (Go SEA)

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