UCSF

ZINC36125479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.54 7.33 -42.86 1 5 1 43 321.441 5
Mid Mid (pH 6-8) 2.54 5.61 -8.99 0 5 0 42 320.433 5

Activity (Go SEA)

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