UCSF

ZINC43801130

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 0.33 3.01 -56.74 3 6 1 67 292.359 3
Hi High (pH 8-9.5) 0.33 1.66 -12.68 2 6 0 63 291.351 3

Activity (Go SEA)

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