UCSF

ZINC23303288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 32 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) 2.90 10.73 -50.08 2 7 1 64 432.548 6
Hi High (pH 8-9.5) 2.90 8.26 -15.73 1 7 0 63 431.54 6

Activity (Go SEA)

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