UCSF

ZINC37801091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.10 4.26 -43.6 2 5 1 55 281.357 3
Mid Mid (pH 6-8) 1.10 3.03 -12.82 1 5 0 51 280.349 3

Activity (Go SEA)

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