UCSF

ZINC66819708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2011 21 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) 2.34 7.31 -41.6 2 4 1 43 311.471 8
Mid Mid (pH 6-8) 2.34 5.72 -8.01 1 4 0 42 310.463 8

Activity (Go SEA)

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