UCSF

ZINC35484432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 2.44 10.77 -52.27 0 11 -1 136 504.523 7
Mid Mid (pH 6-8) 2.44 13.03 -63.52 1 11 0 137 505.531 7
Lo Low (pH 4.5-6) 2.44 12.27 -54.79 2 11 1 134 506.539 7

Activity (Go SEA)

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