UCSF

ZINC37039159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.37 3.32 -105.36 4 6 2 73 306.476 6
Hi High (pH 8-9.5) -0.37 1.45 -49.57 3 6 1 71 305.468 6

Activity (Go SEA)

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