UCSF

ZINC41762679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 0.13 5.9 -42.17 1 4 -1 76 217.248 4
Lo Low (pH 4.5-6) 0.13 4.12 -9.25 2 4 0 73 218.256 4

Activity (Go SEA)

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