UCSF

ZINC45713434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 Yes

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) 2.97 5.34 -7.82 0 4 0 41 308.447 3
Mid Mid (pH 6-8) 2.97 7.48 -42.92 1 4 1 42 309.455 3

Activity (Go SEA)

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