UCSF

ZINC45291639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 23 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) 2.99 8.21 -9.87 0 3 0 24 332.806 3
Mid Mid (pH 6-8) 2.99 10.42 -50.79 1 3 1 25 333.814 3

Activity (Go SEA)

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