UCSF

ZINC22024992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 3.31 8.01 -10.44 1 6 0 69 398.466 3
Hi High (pH 8-9.5) 3.77 7.2 -42.7 0 6 -1 72 397.458 3

Activity (Go SEA)

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