UCSF

ZINC26739000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 35 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) 3.03 5.47 -22.27 2 10 0 124 495.561 7
Hi High (pH 8-9.5) 3.03 5.51 -61.33 1 10 -1 127 494.553 7

Activity (Go SEA)

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