UCSF

ZINC06553757

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 30 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) 4.39 12.31 -53.31 0 4 -1 60 400.429 5
Mid Mid (pH 6-8) 3.81 12.52 -9.71 0 4 0 54 401.437 5
Mid Mid (pH 6-8) 4.39 12.18 -10.25 1 4 0 58 401.437 5

Activity (Go SEA)

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