UCSF

ZINC03604427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 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) -2.27 -2.54 -68.55 8 9 0 178 376.365 7
Mid Mid (pH 6-8) -2.27 -2.86 -55.31 7 9 -1 176 375.357 7

Activity (Go SEA)

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