UCSF

ZINC48132508

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 15 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) 1.66 1.75 -11.81 1 4 0 70 285.177 4
Hi High (pH 8-9.5) 1.66 1.81 -34.34 0 4 -1 72 284.169 4

Activity (Go SEA)

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