UCSF

ZINC41345843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 29 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) 3.21 9.27 -18.64 0 6 0 51 398.503 9
Mid Mid (pH 6-8) 3.21 11.47 -59.72 1 6 1 52 399.511 9

Activity (Go SEA)

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