UCSF

ZINC36777318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -1.27 -2.16 -45.56 4 4 1 64 196.274 5
Hi High (pH 8-9.5) -1.27 -2.55 -6.66 3 4 0 62 195.266 5
Hi High (pH 8-9.5) -1.27 -0.15 -35.75 4 4 1 64 196.274 5
Mid Mid (pH 6-8) -1.27 -1.45 -84.53 5 4 2 65 197.282 5
Mid Mid (pH 6-8) -1.27 0.77 -49.44 4 4 1 68 196.274 5

Activity (Go SEA)

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