UCSF

ZINC37799613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.85 6.27 -43.11 2 4 1 46 293.412 3
Mid Mid (pH 6-8) 1.85 5.16 -12.31 1 4 0 42 292.404 3

Activity (Go SEA)

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