UCSF

ZINC37221192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.26 6.4 -101.75 3 4 2 34 299.503 8
Hi High (pH 8-9.5) 2.26 5.42 -33.72 2 4 1 29 298.495 8
Lo Low (pH 4.5-6) 2.26 8.69 -181.18 4 4 3 35 300.511 8

Activity (Go SEA)

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