UCSF

ZINC49737868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 1.32 2.9 -44.56 3 7 1 83 358.532 7
Hi High (pH 8-9.5) 1.32 0.57 -9.52 2 7 0 81 357.524 7
Mid Mid (pH 6-8) 1.32 2.69 -44.95 3 7 1 83 358.532 7

Activity (Go SEA)

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