UCSF

ZINC36200303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.53 3.04 -44.75 3 5 1 68 244.359 6
Mid Mid (pH 6-8) -0.53 3.14 -12.59 2 5 0 67 243.351 6

Activity (Go SEA)

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