UCSF

ZINC35720698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) -0.94 2.01 -54.43 1 6 -1 90 201.202 5
Lo Low (pH 4.5-6) -0.94 0.03 -14.91 2 6 0 87 202.21 5

Activity (Go SEA)

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