UCSF

ZINC22719924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) 2.10 7.28 -46.74 1 9 -1 121 398.453 5
Hi High (pH 8-9.5) 2.29 6.21 -89.85 0 9 -2 127 397.445 5

Activity (Go SEA)

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