UCSF

ZINC36853686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 No

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) -1.37 -3.43 -13.05 3 6 0 87 199.21 4
Hi High (pH 8-9.5) -1.37 -3.43 -14.41 3 6 0 87 199.21 4
Mid Mid (pH 6-8) -1.37 -2.18 -51.94 4 6 1 92 200.218 4
Mid Mid (pH 6-8) -1.19 -4.73 -43.84 3 6 0 98 199.21 4
Mid Mid (pH 6-8) -1.37 -2.18 -51.92 4 6 1 92 200.218 4
Lo Low (pH 4.5-6) -1.19 -4.72 -43.82 3 6 0 98 199.21 4

Activity (Go SEA)

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