UCSF

ZINC37113743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.68 4.14 -55.32 3 4 1 65 285.433 6
Hi High (pH 8-9.5) 0.68 3.84 -8.13 2 4 0 63 284.425 6

Activity (Go SEA)

Rings

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