UCSF

ZINC21661520

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 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 9.94 -16.5 1 6 0 67 388.471 5
Lo Low (pH 4.5-6) 3.98 10.29 -46.01 2 6 1 69 389.479 5

Activity (Go SEA)

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