UCSF

ZINC78723421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2012 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) 2.23 7.03 -42.32 3 4 1 59 258.345 5
Mid Mid (pH 6-8) 2.23 6.52 -14.87 2 4 0 58 257.337 5
Mid Mid (pH 6-8) 2.23 6.54 -15.4 2 4 0 58 257.337 5

Activity (Go SEA)

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