UCSF

ZINC19541118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 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 10.22 -62.03 2 6 1 76 390.46 7
Mid Mid (pH 6-8) 3.47 7.79 -46.08 1 6 0 80 389.452 7
Mid Mid (pH 6-8) 3.02 7.96 -13.26 1 6 0 75 389.452 7

Activity (Go SEA)

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