UCSF

ZINC34682887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 3.49 11.26 -58.84 1 5 1 43 403.568 8
Hi High (pH 8-9.5) 3.49 9.02 -11.93 0 5 0 42 402.56 8

Activity (Go SEA)

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