UCSF

ZINC62954427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.89 7.49 -45.26 3 2 1 31 265.396 3
Hi High (pH 8-9.5) 1.89 7.19 -3.45 2 2 0 29 264.388 3

Activity (Go SEA)

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