UCSF

ZINC01698785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 20 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) 2.01 7.91 -39.68 2 5 0 83 275.304 4
Hi High (pH 8-9.5) 2.01 6.63 -48.56 1 5 -1 78 274.296 4

Activity (Go SEA)

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