UCSF

ZINC58982688

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.08 4.27 -57.76 2 5 1 54 252.338 3
Mid Mid (pH 6-8) -0.08 2.06 -15.17 1 5 0 53 251.33 3

Activity (Go SEA)

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