UCSF

ZINC22783255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 4.57 9.28 -50.49 2 4 1 44 371.284 7
Hi High (pH 8-9.5) 4.57 7.95 -8.9 1 4 0 40 370.276 7

Activity (Go SEA)

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