UCSF

ZINC09237553

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 2.65 -2.56 -59.6 3 8 1 100 487.96 8
Mid Mid (pH 6-8) 2.06 -2.65 -71.86 2 8 1 97 487.96 8

Activity (Go SEA)

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