UCSF

ZINC37081276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.28 7.64 -109.05 3 2 2 21 210.365 3
Hi High (pH 8-9.5) 3.28 5.65 -29.81 2 2 1 20 209.357 3
Hi High (pH 8-9.5) 3.28 6.39 -30.73 2 2 1 16 209.357 3

Activity (Go SEA)

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