UCSF

ZINC37094177

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) 1.19 4.16 -41.52 3 5 1 66 267.349 6
Hi High (pH 8-9.5) 1.19 3.75 -12.55 2 5 0 65 266.341 6

Activity (Go SEA)

Rings

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