UCSF

ZINC43395958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.08 5.36 -100.75 4 4 2 54 251.374 4
Hi High (pH 8-9.5) 1.08 4.95 -26.08 3 4 1 53 250.366 4
Mid Mid (pH 6-8) 1.08 4.93 -47.97 3 4 1 53 250.366 4

Activity (Go SEA)

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