UCSF

ZINC43834626

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 38 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) -4.49 6.11 -162.01 1 15 -3 220 536.518 11
Hi High (pH 8-9.5) -4.49 9.01 -162.1 2 15 -2 222 537.526 11
Hi High (pH 8-9.5) -4.49 11.56 -153.24 3 15 -1 223 538.534 11
Mid Mid (pH 6-8) -4.49 11.31 -143.04 3 15 -1 223 538.534 11
Mid Mid (pH 6-8) -4.49 8.78 -135.89 2 15 -2 222 537.526 11
Mid Mid (pH 6-8) -4.49 8.83 -145.19 2 15 -2 222 537.526 11
Lo Low (pH 4.5-6) -4.49 13.78 -159.16 4 15 0 224 539.542 11

Activity (Go SEA)

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