UCSF

ZINC33561017

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 26 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) 3.25 9.7 -56.38 1 5 1 66 368.482 5
Mid Mid (pH 6-8) 3.25 7.38 -10.94 0 5 0 64 367.474 5

Activity (Go SEA)

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