UCSF

ZINC43966997

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.47 7.03 -103.04 3 2 2 21 214.397 4
Mid Mid (pH 6-8) 2.47 5.22 -34.91 2 2 1 20 213.389 4
Mid Mid (pH 6-8) 2.47 6 -29.72 2 2 1 16 213.389 4

Activity (Go SEA)

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