UCSF

ZINC37982779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) 2.10 3.68 -67.03 2 3 1 51 280.822 4
Hi High (pH 8-9.5) 2.10 2.37 -12.65 1 3 0 46 279.814 4

Activity (Go SEA)

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