UCSF

ZINC04554613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 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) 6.42 7.96 -5.61 2 3 0 45 382.573 4
Lo Low (pH 4.5-6) 6.42 9.55 -32.3 3 3 1 46 383.581 4

Activity (Go SEA)

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