UCSF

ZINC19857535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 4.64 10.03 -15.29 1 4 0 62 380.532 7
Hi High (pH 8-9.5) 5.22 9.84 -49.01 1 4 -1 68 379.524 6

Activity (Go SEA)

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