UCSF

ZINC39301511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 3.20 5.91 -15.01 6 9 0 134 408.462 8
Mid Mid (pH 6-8) 3.20 5.97 -37.85 7 9 1 136 409.47 8
Mid Mid (pH 6-8) 3.20 5.88 -37.11 7 9 1 136 409.47 8

Activity (Go SEA)

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