UCSF

ZINC37446887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) 2.34 6.63 -35.58 2 3 1 43 208.281 5
Mid Mid (pH 6-8) 2.34 5.58 -4.62 1 3 0 38 207.273 5

Activity (Go SEA)

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