UCSF

ZINC44122601

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.40 5.96 -33.23 2 2 1 25 208.325 4
Hi High (pH 8-9.5) 2.40 4.02 -3.03 1 2 0 23 207.317 4

Activity (Go SEA)

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