UCSF

ZINC09046493

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 24 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) 6.35 10.74 -8.62 1 3 0 45 334.444 3
Mid Mid (pH 6-8) 5.86 10.55 -43.79 0 3 -1 44 333.436 4

Activity (Go SEA)

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