UCSF

ZINC35718998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 3.52 5.99 -45.15 3 2 1 31 269.478 9
Lo Low (pH 4.5-6) 3.52 7.95 -124.38 4 2 2 32 270.486 9

Activity (Go SEA)

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