UCSF

ZINC36226418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) -0.25 -0.75 -25.01 5 4 1 72 168.22 3
Mid Mid (pH 6-8) -0.25 -1.08 -7.41 4 4 0 71 167.212 3

Activity (Go SEA)

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