UCSF

ZINC37092848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.88 5.31 -91.07 5 4 2 69 220.32 3
Hi High (pH 8-9.5) 0.88 5.34 -32.38 4 4 1 67 219.312 3
Hi High (pH 8-9.5) 0.88 5.01 -35.46 4 4 1 68 219.312 3

Activity (Go SEA)

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