UCSF

ZINC20392372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 4.86 11.9 -61.22 2 4 1 55 386.471 5
Mid Mid (pH 6-8) 4.86 12.54 -37.24 1 4 0 58 385.463 5

Activity (Go SEA)

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