UCSF

ZINC21812807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 4.45 8.39 -40.15 2 1 1 17 246.827 6
Hi High (pH 8-9.5) 4.45 7.35 -1.12 1 1 0 12 245.819 6

Activity (Go SEA)

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