UCSF

ZINC36477407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 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) -0.05 2.77 -84.56 4 3 2 33 173.304 5
Hi High (pH 8-9.5) -0.05 0.29 -32.15 3 3 1 32 172.296 5
Mid Mid (pH 6-8) -0.05 1.55 -115.51 4 3 2 36 173.304 5

Activity (Go SEA)

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