UCSF

ZINC04927766

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 3.98 8.51 -15.6 2 5 0 67 381.501 8
Lo Low (pH 4.5-6) 3.98 9 -34.33 3 5 1 68 382.509 8

Activity (Go SEA)

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