UCSF

ZINC08837683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 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) 4.24 11.94 -50.57 2 7 1 79 512.428 7
Mid Mid (pH 6-8) 3.21 12.69 -51.18 1 7 1 76 512.428 8
Mid Mid (pH 6-8) 4.24 12.11 -96.68 3 7 2 81 513.436 7
Mid Mid (pH 6-8) 3.21 13.11 -82.83 2 7 2 77 513.436 8

Activity (Go SEA)

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