UCSF

ZINC37081832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.05 3.52 -42.85 3 2 1 31 227.397 5
Hi High (pH 8-9.5) 2.05 3.15 -1.26 2 2 0 29 226.389 5

Activity (Go SEA)

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