UCSF

ZINC44806750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) 1.34 6.08 -106.99 5 4 2 61 291.439 7
Hi High (pH 8-9.5) 1.34 6.34 -38.25 4 4 1 60 290.431 7

Activity (Go SEA)

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