UCSF

ZINC36374626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 21 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) 1.91 7.04 -8.46 0 4 0 43 278.359 3
Mid Mid (pH 6-8) 1.91 7.05 -38.2 1 4 1 44 279.367 3
Mid Mid (pH 6-8) 1.91 9.26 -46.54 1 4 1 44 279.367 3

Activity (Go SEA)

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