UCSF

ZINC37267732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.23 3.04 -50.41 4 5 1 77 314.456 4
Hi High (pH 8-9.5) 1.23 0.65 -15.84 3 5 0 75 313.448 4

Activity (Go SEA)

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