UCSF

ZINC42462814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -2.59 0.64 -58.07 3 6 0 95 216.237 4
Hi High (pH 8-9.5) -2.59 -0.71 -42.51 2 6 -1 90 215.229 4

Activity (Go SEA)

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