UCSF

ZINC25254530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 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) 2.88 8.09 -22.01 2 7 0 90 451.548 8
Hi High (pH 8-9.5) 2.95 7.2 -53.87 1 7 -1 96 450.54 8

Activity (Go SEA)

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