UCSF

ZINC43425178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.19 5.02 -41.64 3 3 1 40 287.427 1
Mid Mid (pH 6-8) 1.19 7.11 -33.37 3 3 1 40 287.427 1
Lo Low (pH 4.5-6) 1.19 7.12 -119.92 4 3 2 41 288.435 1

Activity (Go SEA)

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