UCSF

ZINC28162124

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 33 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) 5.85 14.94 -6.93 0 4 0 32 454.643 4
Mid Mid (pH 6-8) 5.85 16.76 -43.41 1 4 1 33 455.651 4

Activity (Go SEA)

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