UCSF

ZINC37134564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.84 2 -9.74 3 5 0 71 354.2 5
Hi High (pH 8-9.5) 2.84 2.92 -45.43 2 5 -1 74 353.192 5

Activity (Go SEA)

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