UCSF

ZINC28959112

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 26 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) 3.02 4.53 -11.1 1 6 0 64 367.327 5
Mid Mid (pH 6-8) 3.02 4.83 -41.39 2 6 1 65 368.335 5

Activity (Go SEA)

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