UCSF

ZINC25151213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.69 11.82 -53.91 3 8 1 98 454.576 8
Hi High (pH 8-9.5) 3.69 9.61 -15.2 2 8 0 96 453.568 8

Activity (Go SEA)

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