UCSF

ZINC49938259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.23 9.58 -127.06 3 4 2 39 260.385 7
Hi High (pH 8-9.5) 1.23 5.9 -6.39 1 4 0 33 258.369 7
Mid Mid (pH 6-8) 1.23 8.23 -40.13 2 4 1 34 259.377 7
Mid Mid (pH 6-8) 1.23 7.27 -49.94 2 4 1 38 259.377 7
Lo Low (pH 4.5-6) 1.23 10.1 -173.37 4 4 3 40 261.393 7

Activity (Go SEA)

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