UCSF

ZINC43968504

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.10 5.2 -34.39 2 4 1 35 267.393 9
Mid Mid (pH 6-8) 2.10 6.36 -111.45 3 4 2 40 268.401 9

Activity (Go SEA)

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