UCSF

ZINC43261911

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) 2.22 6.09 -95.53 4 3 2 35 346.338 4
Hi High (pH 8-9.5) 2.22 3.54 -1.71 2 3 0 32 344.322 4
Mid Mid (pH 6-8) 2.22 3.08 -47.36 3 3 1 34 345.33 4

Activity (Go SEA)

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