UCSF

ZINC38244316

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 24 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) -5.01 3.4 -114.41 5 8 1 131 355.44 7
Mid Mid (pH 6-8) -5.01 3.07 -82.82 4 8 0 130 354.432 7

Activity (Go SEA)

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