UCSF

ZINC33821942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 25 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) -3.15 -2.13 -126.8 3 13 -2 203 418.213 6
Mid Mid (pH 6-8) -3.15 -1.26 -237.83 3 13 -3 203 417.205 6

Activity (Go SEA)

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