UCSF

ZINC19891652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 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) 7.04 11.66 -8.15 2 3 0 49 451.147 4
Hi High (pH 8-9.5) 7.04 12.53 -50.77 1 3 -1 52 450.139 4

Activity (Go SEA)

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