UCSF

ZINC19399486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 2.00 6.95 -40.6 3 3 1 46 292.443 6
Hi High (pH 8-9.5) 2.00 6.66 -3.7 2 3 0 44 291.435 6

Activity (Go SEA)

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