UCSF

ZINC09135562

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 35 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) 2.92 7.5 -52.35 3 8 1 101 501.987 9
Mid Mid (pH 6-8) 2.33 -2.81 -62.16 2 8 1 97 501.987 9

Activity (Go SEA)

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