UCSF

ZINC37115941

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) 3.32 7.07 -108.12 3 2 2 21 210.365 2
Hi High (pH 8-9.5) 3.32 4.78 -34 2 2 1 20 209.357 2
Hi High (pH 8-9.5) 3.32 7.14 -29.66 2 2 1 16 209.357 2

Activity (Go SEA)

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