UCSF

ZINC43401149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.95 1.23 -46 4 6 1 102 283.377 3
Mid Mid (pH 6-8) -0.95 1.28 -14.51 3 6 0 100 282.369 3
Lo Low (pH 4.5-6) -0.95 1.47 -108.6 5 6 2 103 284.385 3

Activity (Go SEA)

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