UCSF

ZINC37823402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.50 5.42 -49.43 2 4 1 61 210.301 6
Hi High (pH 8-9.5) 0.50 4.05 -10.23 1 4 0 56 209.293 6

Activity (Go SEA)

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