UCSF

ZINC37011509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.20 7.24 -33.63 3 3 1 40 257.357 5
Hi High (pH 8-9.5) 2.20 4.9 -5.05 2 3 0 38 256.349 5

Activity (Go SEA)

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