UCSF

ZINC22804553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 4.39 11.32 -42.17 1 4 1 28 398.596 6
Hi High (pH 8-9.5) 4.39 9.01 -7.79 0 4 0 27 397.588 6

Activity (Go SEA)

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