UCSF

ZINC03500082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 4.84 -0.67 -13.33 2 6 0 77 457.603 8

Activity (Go SEA)

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