UCSF

ZINC36459635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 15 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) 1.32 5.73 -36.44 1 3 1 21 204.297 1
Mid Mid (pH 6-8) 1.32 3.4 -5.07 0 3 0 19 203.289 1
Lo Low (pH 4.5-6) 1.32 6.19 -82.25 2 3 2 22 205.305 1

Activity (Go SEA)

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