UCSF

ZINC28497979

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 28 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) 3.23 4.18 -17.87 2 7 0 105 420.512 7
Mid Mid (pH 6-8) 3.23 4.25 -46.76 1 7 -1 108 419.504 7

Activity (Go SEA)

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