UCSF

ZINC13521849

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 1.53 2.55 -43.31 2 7 -1 114 364.79 3
Mid Mid (pH 6-8) 1.53 2.5 -17.32 3 7 0 112 365.798 3

Activity (Go SEA)

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