UCSF

ZINC37438344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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 2.27 -58.86 1 7 -1 107 285.301 5
Mid Mid (pH 6-8) -1.53 2.45 -104.87 0 7 -2 109 284.293 5

Activity (Go SEA)

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