UCSF

ZINC41703409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.73 6.94 -18.93 1 5 0 62 283.331 4
Lo Low (pH 4.5-6) 1.73 7.33 -47.76 2 5 1 64 284.339 4

Activity (Go SEA)

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