UCSF

ZINC35207534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 1.53 4.36 -8.27 1 5 0 66 245.282 2
Hi High (pH 8-9.5) 1.99 2.57 -45.53 0 5 -1 69 244.274 2

Activity (Go SEA)

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