UCSF

ZINC22779771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.05 6.42 -46.84 4 7 1 85 408.526 6
Hi High (pH 8-9.5) 2.05 4.2 -21.31 3 7 0 84 407.518 6
Hi High (pH 8-9.5) 2.05 6.45 -45 4 7 1 85 408.526 6

Activity (Go SEA)

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