UCSF

ZINC37998306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 4.20 9.58 -50.55 2 1 1 17 365.238 6
Mid Mid (pH 6-8) 4.20 8.42 -4.66 1 1 0 12 364.23 6

Activity (Go SEA)

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