UCSF

ZINC06294932

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

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) 2.97 7.82 -43.48 0 6 -1 83 394.428 6
Mid Mid (pH 6-8) 2.96 0.22 -15.61 1 6 0 79 395.436 6
Mid Mid (pH 6-8) 2.38 0.1 -24.63 0 6 0 76 395.436 6

Activity (Go SEA)

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