UCSF

ZINC09459403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

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) 3.27 9.66 -57.01 2 8 1 90 493.58 7
Mid Mid (pH 6-8) 2.69 10.35 -66.82 1 8 1 87 493.58 7

Activity (Go SEA)

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