UCSF

ZINC41682493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.68 8.21 -79.17 2 6 0 77 299.415 8
Lo Low (pH 4.5-6) 1.68 6.22 -45.23 3 6 1 74 300.423 8

Activity (Go SEA)

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