UCSF

ZINC19339233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 15 No

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) 1.71 2.81 -7.63 1 3 0 58 209.289 3
Hi High (pH 8-9.5) 2.30 4.91 -35.99 1 3 -1 64 208.281 2

Activity (Go SEA)

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