UCSF

ZINC36881410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.75 6.42 -11.01 1 4 0 55 325.817 7
Hi High (pH 8-9.5) 3.75 6.48 -46.73 0 4 -1 57 324.809 7

Activity (Go SEA)

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