UCSF

ZINC27560760

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 29 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) -0.71 6.29 -97.93 3 7 0 102 407.417 6
Mid Mid (pH 6-8) -3.45 5.34 -71 4 7 1 105 408.425 5

Activity (Go SEA)

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