UCSF

ZINC70008138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 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) -0.97 1.03 -43.21 2 7 0 84 207.241 4
Hi High (pH 8-9.5) -0.97 0.46 -44.16 1 7 -1 83 206.233 4
Mid Mid (pH 6-8) -0.97 2.27 -80.95 3 7 1 88 208.249 4
Lo Low (pH 4.5-6) -0.97 1.64 -38.42 2 7 0 87 207.241 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.