UCSF

ZINC36631121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) 7.35 12.65 -18.19 1 6 0 81 513.644 6
Mid Mid (pH 6-8) 7.35 12.68 -67.16 0 6 -1 83 512.636 6

Activity (Go SEA)

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