UCSF

ZINC26511822

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 3.56 9.08 -30.54 3 3 1 45 264.352 3
Mid Mid (pH 6-8) 3.56 8.95 -11.42 2 3 0 44 263.344 3

Activity (Go SEA)

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