UCSF

ZINC38277420

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 3.40 9.29 -58.59 0 5 -1 74 380.395 5
Mid Mid (pH 6-8) 3.40 8.54 -13.83 1 5 0 71 381.403 5

Activity (Go SEA)

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