UCSF

ZINC37000845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.69 8.86 -32.33 2 2 1 16 324.286 4
Mid Mid (pH 6-8) 3.69 9.7 -105.56 3 2 2 21 325.294 4

Activity (Go SEA)

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