UCSF

ZINC09354978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

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) 2.47 8.05 -55.19 2 7 1 81 441.479 7
Mid Mid (pH 6-8) 1.89 -0.05 -64.69 1 7 1 77 441.479 7

Activity (Go SEA)

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