UCSF

ZINC43985294

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 4.02 5.81 -39.07 2 3 1 29 283.48 8
Mid Mid (pH 6-8) 4.02 7.88 -108.03 3 3 2 30 284.488 8

Activity (Go SEA)

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