UCSF

ZINC37083266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.71 9.77 -125.25 4 2 2 32 288.479 3
Hi High (pH 8-9.5) 3.71 9.66 -30.3 3 2 1 30 287.471 3
Hi High (pH 8-9.5) 3.71 7.76 -43.15 3 2 1 31 287.471 3

Activity (Go SEA)

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