UCSF

ZINC37094862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.24 0.26 -100.24 5 3 2 52 162.277 6
Hi High (pH 8-9.5) -0.24 0.81 -43.29 4 3 1 55 161.269 6
Mid Mid (pH 6-8) -0.24 -0.2 -32.08 4 3 1 51 161.269 6

Activity (Go SEA)

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