UCSF

ZINC19266107

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 0.55 6.58 -102.15 4 3 2 35 263.429 4
Hi High (pH 8-9.5) 0.55 4.2 -43.38 3 3 1 34 262.421 4
Hi High (pH 8-9.5) 0.55 3.38 -2.72 2 3 0 32 261.413 4
Mid Mid (pH 6-8) 0.55 5.79 -32.24 3 3 1 34 262.421 4
Mid Mid (pH 6-8) 0.55 6.17 -133.73 4 3 2 35 263.429 4

Activity (Go SEA)

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