UCSF

ZINC36747344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.21 2.25 -45.61 4 4 1 83 204.253 5
Mid Mid (pH 6-8) 0.21 0.89 -10.98 3 4 0 79 203.245 5

Activity (Go SEA)

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