UCSF

ZINC43262926

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 4.04 6.93 -42.2 3 2 1 31 346.358 7
Hi High (pH 8-9.5) 4.04 6.59 -1.57 2 2 0 29 345.35 7
Mid Mid (pH 6-8) 4.04 7.82 -32.01 3 2 1 30 346.358 7
Mid Mid (pH 6-8) 4.04 8.12 -112.17 4 2 2 32 347.366 7

Activity (Go SEA)

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