UCSF

ZINC37028445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.25 2.26 -56.27 4 5 1 83 241.242 4
Hi High (pH 8-9.5) 0.25 1.95 -15.36 3 5 0 81 240.234 4

Activity (Go SEA)

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