UCSF

ZINC37824983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.34 6.06 -115.65 4 5 2 65 294.443 8
Hi High (pH 8-9.5) 0.34 5.75 -49.76 3 5 1 64 293.435 8

Activity (Go SEA)

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