UCSF

ZINC25149967

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 1.24 9.3 -22.69 2 9 0 127 485.591 9
Mid Mid (pH 6-8) 1.70 7.51 -64.32 1 9 -1 130 484.583 9

Activity (Go SEA)

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