UCSF

ZINC35151622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.89 3.47 -8.29 1 5 0 72 377.043 5
Hi High (pH 8-9.5) 2.89 3.18 -38.06 0 5 -1 75 376.035 5

Activity (Go SEA)

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