UCSF

ZINC13037992

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 34 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) 4.14 15.32 -17.19 0 9 0 97 482.924 10
Mid Mid (pH 6-8) 4.14 15.83 -54.95 1 9 1 99 483.932 10

Activity (Go SEA)

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