UCSF

ZINC34674400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 4.63 10.96 -42.56 1 3 1 37 275.416 10
Hi High (pH 8-9.5) 4.63 8.45 -6.06 0 3 0 36 274.408 10

Activity (Go SEA)

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