UCSF

ZINC37269130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 12 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) -1.79 1.26 -22.08 2 5 0 80 172.184 4
Hi High (pH 8-9.5) -1.04 0.14 -58.67 2 5 -1 86 171.176 3

Activity (Go SEA)

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