UCSF

ZINC53652420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.26 8.57 -107.62 3 2 2 21 210.365 5
Hi High (pH 8-9.5) 2.26 7.41 -29.67 2 2 1 16 209.357 5
Mid Mid (pH 6-8) 2.26 6.74 -32.56 2 2 1 20 209.357 5

Activity (Go SEA)

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