UCSF

ZINC37083258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.94 9.78 -32.9 3 2 1 30 289.487 5
Mid Mid (pH 6-8) 2.94 10.11 -126.45 4 2 2 32 290.495 5

Activity (Go SEA)

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