UCSF

ZINC37083667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

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) 3.96 9.79 -35.92 1 4 0 58 284.359 3
Mid Mid (pH 6-8) 3.96 9.31 -49.28 0 4 -1 56 283.351 3

Activity (Go SEA)

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