UCSF

ZINC37102611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.69 6.11 -44.74 3 5 1 72 296.387 9
Hi High (pH 8-9.5) 2.69 5.18 -9.7 2 5 0 68 295.379 9

Activity (Go SEA)

Rings

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