UCSF

ZINC26420581

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 14 Yes

Other Names:

F1967-0429

MFCD15194895

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) 0.64 1.52 -71.32 1 5 0 57 194.238 1
Hi High (pH 8-9.5) 0.64 -0.83 -49.01 0 5 -1 55 193.23 1
Mid Mid (pH 6-8) 0.19 -1.34 -11.73 1 5 0 52 194.238 1
Mid Mid (pH 6-8) 0.64 0.76 -45.51 2 5 1 54 195.246 1

Activity (Go SEA)

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