UCSF

ZINC22865358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 32 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) 4.44 12.55 -32.9 1 6 0 72 463.481 8
Hi High (pH 8-9.5) 3.96 11.64 -66.89 0 6 -1 78 462.473 8

Activity (Go SEA)

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