UCSF

ZINC57516830

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 19 Yes

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) -1.09 4.88 -35.6 3 6 0 101 263.297 3
Mid Mid (pH 6-8) -1.09 4.33 -39.51 3 6 0 101 263.297 3
Mid Mid (pH 6-8) -1.09 4.07 -64.32 2 6 -1 99 262.289 3

Activity (Go SEA)

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