UCSF

ZINC14740573

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2008 35 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) 4.06 10.98 -17.05 2 9 0 104 482.581 12
Lo Low (pH 4.5-6) 4.06 11.24 -46.02 3 9 1 105 483.589 12

Activity (Go SEA)

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