UCSF

ZINC37989190

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 1.73 3.05 -55.96 4 5 1 75 327.202 5
Hi High (pH 8-9.5) 1.73 4 -68.54 3 5 0 78 326.194 5

Activity (Go SEA)

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