UCSF

ZINC67690899

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 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) 1.45 6.31 -89.13 3 4 2 34 323.525 3
Hi High (pH 8-9.5) 1.45 3.91 -41.11 2 4 1 32 322.517 3

Activity (Go SEA)

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