UCSF

ZINC22733797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 3.13 8.45 -46.06 2 5 1 40 393.555 5
Mid Mid (pH 6-8) 3.13 5.98 -11.04 1 5 0 39 392.547 5

Activity (Go SEA)

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