UCSF

ZINC36881454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.69 2.74 -12.62 1 5 0 65 328.217 7
Hi High (pH 8-9.5) 2.69 2.79 -44.7 0 5 -1 67 327.209 7

Activity (Go SEA)

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