UCSF

ZINC54633581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 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) 2.89 7.39 -54.71 0 3 -1 49 221.276 5
Lo Low (pH 4.5-6) 2.89 5.16 -6.33 1 3 0 47 222.284 5

Activity (Go SEA)

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