UCSF

ZINC29474444

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.07 7.54 -23.74 1 7 0 90 363.468 4
Mid Mid (pH 6-8) 2.14 6.46 -57.21 0 7 -1 96 362.46 4

Activity (Go SEA)

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