UCSF

ZINC44218320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.18 3.99 -43.61 3 4 0 77 263.215 5
Hi High (pH 8-9.5) -0.18 3.68 -50.21 2 4 -1 75 262.207 5

Activity (Go SEA)

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