UCSF

ZINC37117239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.14 3.91 -41.02 3 5 1 64 279.36 5
Hi High (pH 8-9.5) 1.14 2.55 -9.59 2 5 0 60 278.352 5

Activity (Go SEA)

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