UCSF

ZINC35045646

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.66 4.52 -45.51 2 5 1 59 255.338 7
Hi High (pH 8-9.5) 1.66 3.38 -5.57 1 5 0 55 254.33 7
Mid Mid (pH 6-8) 1.66 6.59 -121.1 3 5 2 60 256.346 7
Mid Mid (pH 6-8) 1.66 5.32 -36.37 2 5 1 56 255.338 7

Activity (Go SEA)

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