UCSF

ZINC42945263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 0.71 7.28 -112.64 4 4 2 52 297.83 4
Mid Mid (pH 6-8) 0.71 4.85 -46.8 3 4 1 51 296.822 4

Activity (Go SEA)

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