UCSF

ZINC44518419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.24 9.2 -117.69 3 6 2 76 295.383 6
Hi High (pH 8-9.5) 2.24 7.96 -42.36 2 6 1 72 294.375 6

Activity (Go SEA)

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