UCSF

ZINC49753915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 19 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) 0.05 5.13 -55.02 2 5 1 67 266.365 5
Mid Mid (pH 6-8) 0.05 2.87 -11.79 1 5 0 65 265.357 5

Activity (Go SEA)

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