UCSF

ZINC39712337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 30 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) 4.36 8.7 -21.93 1 6 0 75 491.455 8
Mid Mid (pH 6-8) 4.36 10.99 -46.44 2 6 1 76 492.463 8

Activity (Go SEA)

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