UCSF

ZINC25152382

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 26 No

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) 2.61 8.69 -19.27 1 5 0 60 342.402 4
Mid Mid (pH 6-8) 2.61 9.09 -40.9 2 5 1 61 343.41 4

Activity (Go SEA)

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