UCSF

ZINC09742749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 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) 2.34 -0.8 -22.06 3 8 0 112 443.459 4

Activity (Go SEA)

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