UCSF

ZINC35991433

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 32 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) 4.21 11.68 -10.1 1 8 0 88 443.544 10
Mid Mid (pH 6-8) 4.21 12.04 -41.77 2 8 1 89 444.552 10

Activity (Go SEA)

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