UCSF

ZINC21908029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 4.17 8.69 -31.35 2 6 0 84 380.473 5
Mid Mid (pH 6-8) 4.24 7.78 -66.63 1 6 -1 90 379.465 5

Activity (Go SEA)

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