UCSF

ZINC04382408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 29 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) 6.14 13.95 -13.78 1 4 0 39 385.511 6
Mid Mid (pH 6-8) 6.14 14.07 -24.13 2 4 1 40 386.519 6

Activity (Go SEA)

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