UCSF

ZINC36238104

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 4.50 10.55 -45.88 2 4 1 37 363.529 4
Mid Mid (pH 6-8) 4.50 11.14 -78.35 3 4 2 38 364.537 4

Activity (Go SEA)

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