UCSF

ZINC35678954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 3.74 4.86 -45.73 0 4 -1 61 391.064 3
Lo Low (pH 4.5-6) 3.74 5.29 -13.2 1 4 0 59 392.072 3

Activity (Go SEA)

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