UCSF

ZINC40875680

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.30 5.35 -28.61 4 6 1 87 371.457 2
Hi High (pH 8-9.5) 2.30 3.22 -10.79 3 6 0 86 370.449 2

Activity (Go SEA)

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