UCSF

ZINC21811587

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) 6.00 12.44 -42.68 2 1 1 17 302.869 6
Hi High (pH 8-9.5) 6.00 11.34 -2.4 1 1 0 12 301.861 6

Activity (Go SEA)

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