UCSF

ZINC44136057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 3.08 7.32 -54.1 2 3 1 43 288.289 4
Hi High (pH 8-9.5) 3.08 5.98 -5.95 1 3 0 38 287.281 4

Activity (Go SEA)

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