UCSF

ZINC74774737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2012 22 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) 1.66 5.66 -10.56 0 4 0 33 316.323 4
Mid Mid (pH 6-8) 1.66 8.08 -44.17 1 4 1 34 317.331 4

Activity (Go SEA)

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