UCSF

ZINC71149646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 18 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 1.42 -59.38 2 8 1 84 254.318 5
Hi High (pH 8-9.5) -2.00 0.07 -23.17 1 8 0 79 253.31 5

Activity (Go SEA)

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