UCSF

ZINC36731788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 11 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) -1.47 -0.82 -108.18 6 4 2 75 161.249 6
Hi High (pH 8-9.5) -1.47 -2.87 -44.4 5 4 1 74 160.241 6
Mid Mid (pH 6-8) -1.47 -1.21 -35.55 5 4 1 74 160.241 6

Activity (Go SEA)

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