UCSF

ZINC19411018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 No

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) 0.78 7.05 -18.32 0 3 0 37 211.286 4
Hi High (pH 8-9.5) 1.52 6.99 -48.04 0 3 -1 43 210.278 3

Activity (Go SEA)

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