UCSF

ZINC03939461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 33 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) 3.06 -2.04 -20.02 2 9 0 122 466.929 10
Lo Low (pH 4.5-6) 3.06 -1.95 -45.99 3 9 1 123 467.937 10

Activity (Go SEA)

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