UCSF

ZINC41076839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 30 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) 6.27 14.17 -10.61 1 4 0 47 435.98 6
Lo Low (pH 4.5-6) 6.27 14.62 -32.54 2 4 1 48 436.988 6

Activity (Go SEA)

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