UCSF

ZINC37145702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 3.64 7.71 -37.56 1 2 1 28 221.368 1
Hi High (pH 8-9.5) 3.64 6.09 -6.38 0 2 0 27 220.36 1

Activity (Go SEA)

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