UCSF

ZINC09272090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 39 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) 6.10 15.62 -46.18 2 6 1 71 527.685 12
Mid Mid (pH 6-8) 5.52 2.09 -56.3 1 6 1 68 527.685 12

Activity (Go SEA)

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