UCSF

ZINC40169652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 21 No

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) 4.19 9.31 -9.91 1 6 0 87 300.705 3
Hi High (pH 8-9.5) 4.19 9.18 -41.87 0 6 -1 86 299.697 3

Activity (Go SEA)

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