UCSF

ZINC22772441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 4.71 10.75 -38.39 2 3 1 35 334.439 7
Hi High (pH 8-9.5) 4.71 9.67 -5.29 1 3 0 30 333.431 7

Activity (Go SEA)

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