UCSF

ZINC37315695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.08 8.06 -41.36 2 5 1 53 313.491 9
Mid Mid (pH 6-8) 2.08 6.79 -11.83 1 5 0 48 312.483 9

Activity (Go SEA)

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