UCSF

ZINC37997392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 4.45 9.38 -43.96 2 1 1 17 329.62 4
Mid Mid (pH 6-8) 4.45 7.97 -3.7 1 1 0 12 328.612 4

Activity (Go SEA)

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