UCSF

ZINC31979194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

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) -0.59 2.86 -62.79 1 5 -1 82 205.193 4
Lo Low (pH 4.5-6) -0.59 3.25 -78.4 2 5 0 83 206.201 4

Activity (Go SEA)

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