UCSF

ZINC06381474

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 2.45 6.16 -62.17 0 7 -1 88 396.419 8
Mid Mid (pH 6-8) 2.45 0.16 -13.19 1 7 0 85 397.427 8
Mid Mid (pH 6-8) 1.87 -0.07 -12.17 0 7 0 82 397.427 8

Activity (Go SEA)

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