UCSF

ZINC22585825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) 1.43 4.31 -41.32 2 6 1 55 308.402 6
Hi High (pH 8-9.5) 1.43 2.06 -13.52 1 6 0 54 307.394 6

Activity (Go SEA)

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