UCSF

ZINC40175324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 4.43 10.98 -28.94 1 3 1 21 332.471 4
Mid Mid (pH 6-8) 4.43 13.2 -88.15 2 3 2 22 333.479 4

Activity (Go SEA)

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