UCSF

ZINC42463533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.98 1.51 -11.88 2 5 0 73 276.383 4
Lo Low (pH 4.5-6) 0.98 1.36 -57.43 3 5 1 74 277.391 4

Activity (Go SEA)

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