UCSF

ZINC34618877

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) -0.13 5.11 -36.74 3 3 0 68 193.246 3
Hi High (pH 8-9.5) -0.13 4.78 -43.61 2 3 -1 66 192.238 3

Activity (Go SEA)

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