UCSF

ZINC44265122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 2.90 6.58 -14.94 1 3 0 42 231.205 1
Hi High (pH 8-9.5) 2.90 6.15 -46.07 0 3 -1 40 230.197 1

Activity (Go SEA)

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