UCSF

ZINC28818091

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 1.69 -1.47 -18.83 3 6 0 100 271.228 1
Hi High (pH 8-9.5) 1.69 0.13 -96.42 1 6 -2 105 269.212 1
Mid Mid (pH 6-8) 1.69 -0.66 -43.22 2 6 -1 103 270.22 1

Activity (Go SEA)

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