UCSF

ZINC22461840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 26 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 8.91 -14.48 2 5 0 75 369.49 6
Hi High (pH 8-9.5) 4.84 7.84 -42.99 1 5 -1 78 368.482 6

Activity (Go SEA)

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