UCSF

ZINC20191573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 4.42 9.29 -37.69 2 2 1 26 327.286 7
Hi High (pH 8-9.5) 4.42 7.86 -3.16 1 2 0 21 326.278 7

Activity (Go SEA)

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