UCSF

ZINC53159648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 Yes

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) 2.36 3.11 -58.83 4 4 1 74 329.804 5
Hi High (pH 8-9.5) 2.36 2.7 -10.86 3 4 0 72 328.796 5

Activity (Go SEA)

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