UCSF

ZINC45697372

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.99 6.03 -101.15 4 4 2 51 302.846 10
Hi High (pH 8-9.5) 1.99 4.69 -39.13 3 4 1 46 301.838 10

Activity (Go SEA)

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