UCSF

ZINC41043961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 2.35 1.02 -8.28 3 4 0 72 262.4 5
Lo Low (pH 4.5-6) 2.35 0.88 -54.66 4 4 1 74 263.408 5

Activity (Go SEA)

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