UCSF

ZINC37292710

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) 2.99 10.04 -34.97 2 2 1 16 323.913 2
Mid Mid (pH 6-8) 2.99 8.54 -39.71 2 2 1 20 323.913 2
Lo Low (pH 4.5-6) 2.99 10.8 -118.73 3 2 2 21 324.921 2

Activity (Go SEA)

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