UCSF

ZINC34938226

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) -0.86 -2.71 -33.57 4 6 0 101 238.272 4
Hi High (pH 8-9.5) -0.40 -4.79 -57.98 3 6 -1 104 237.264 4
Mid Mid (pH 6-8) -0.86 -1.33 -71 5 6 1 105 239.28 4

Activity (Go SEA)

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