UCSF

ZINC37050046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.45 4.32 -86.78 4 4 2 45 265.401 6
Hi High (pH 8-9.5) 1.45 2.04 -44.04 3 4 1 43 264.393 6
Mid Mid (pH 6-8) 1.45 4.31 -90.56 4 4 2 45 265.401 6

Activity (Go SEA)

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