UCSF

ZINC20184312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.27 2.65 -55.49 3 5 1 66 242.343 5
Mid Mid (pH 6-8) -0.27 1.27 -12.89 2 5 0 61 241.335 5

Activity (Go SEA)

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