UCSF

ZINC37979929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 3.11 8.16 -40.99 3 3 1 44 279.448 9
Mid Mid (pH 6-8) 3.11 7.61 -103.9 4 3 2 41 280.456 9

Activity (Go SEA)

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