UCSF

ZINC36641812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.21 7.83 -88.12 5 6 2 81 399.564 5
Hi High (pH 8-9.5) 3.21 6.74 -33.98 4 6 1 76 398.556 5
Mid Mid (pH 6-8) 3.21 7.23 -73.03 5 6 2 77 399.564 5
Lo Low (pH 4.5-6) 3.21 8.3 -162.42 6 6 3 82 400.572 5

Activity (Go SEA)

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