UCSF

ZINC36634520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.83 6.12 -18.18 0 8 0 78 362.34 4
Mid Mid (pH 6-8) 1.83 8.4 -59.19 1 8 1 79 363.348 4

Activity (Go SEA)

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