UCSF

ZINC21817344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.15 11.36 -42.19 2 1 1 17 294.443 5
Hi High (pH 8-9.5) 5.15 10.05 -4.49 1 1 0 12 293.435 5

Activity (Go SEA)

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