UCSF

ZINC44517860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 No

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) 3.17 10.49 -103.32 3 2 2 21 292.492 4
Hi High (pH 8-9.5) 3.17 9.42 -34.12 2 2 1 16 291.484 4

Activity (Go SEA)

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