UCSF

ZINC36150242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.31 8.09 -41.46 2 4 1 46 316.4 7
Hi High (pH 8-9.5) 2.50 6.79 -42.36 1 4 0 53 315.392 7
Lo Low (pH 4.5-6) 2.31 8.43 -84.01 3 4 2 48 317.408 7

Activity (Go SEA)

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