UCSF

ZINC19370723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 2.94 10.34 -41.72 2 5 1 51 369.464 8
Hi High (pH 8-9.5) 2.94 9.51 -48.72 2 5 1 55 369.464 8
Hi High (pH 8-9.5) 2.94 8.16 -8.51 1 5 0 50 368.456 8

Activity (Go SEA)

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