UCSF

ZINC35633315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 0.80 4.35 -54.23 2 5 1 78 282.389 6
Hi High (pH 8-9.5) 0.80 3.17 -13.38 1 5 0 73 281.381 6

Activity (Go SEA)

Rings

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