UCSF

ZINC27625708

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 3.69 9.82 -12.01 1 3 0 42 277.371 4
Mid Mid (pH 6-8) 3.69 10.17 -32.93 2 3 1 43 278.379 4

Activity (Go SEA)

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