UCSF

ZINC25150071

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 31 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) 1.93 12.47 -16.99 1 8 0 109 430.493 5
Mid Mid (pH 6-8) 2.38 10.68 -58.33 0 8 -1 112 429.485 5

Activity (Go SEA)

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