UCSF

ZINC02338091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 23 No

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) 4.15 9.32 -12.78 2 3 0 45 304.393 5
Mid Mid (pH 6-8) 4.33 6.37 -10.74 2 3 0 48 304.393 5

Activity (Go SEA)

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