UCSF

ZINC18190024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 21 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) -0.61 0.34 -69.59 4 7 1 114 312.371 5
Hi High (pH 8-9.5) -0.61 -0.93 -18.58 3 7 0 110 311.363 5

Activity (Go SEA)

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